4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine

C52H76N6O9S2 — CID 160976690

IUPAC4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine
SMILESCC(C)C1COCCN1.CC(C)[C@H]1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3cc(C4CC4)n(C)c3c2)CC1.Cn1c(C2CC2)cc2ccc(S(=O)(=O)NC3CCC(C(=O)O)CC3)cc21
InChIInChI=1S/C26H37N3O4S.C19H24N2O4S.C7H15NO/c1-17(2)25-16-33-13-12-29(25)26(30)19-6-9-21(10-7-19)27-34(31,32)22-11-8-20-14-23(18-4-5-18)28(3)24(20)15-22;1-21-17(12-2-3-12)10-14-6-9-16(11-18(14)21)26(24,25)20-15-7-4-13(5-8-15)19(22)23;1-6(2)7-5-9-4-3-8-7/h8,11,14-15,17-19,21,25,27H,4-7,9-10,12-13,16H2,1-3H3;6,9-13,15,20H,2-5,7-8H2,1H3,(H,22,23);6-8H,3-5H2,1-2H3/t19?,21?,25-;;/m1../s1
InChIKeySYYTZEWYNMLNLQ-ODYXVTQASA-N
MW993.35 g/mol
LogP7.38
Rot. Bonds12

About 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine

4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine (PubChem CID 160976690) has the molecular formula C52H76N6O9S2 and a molecular weight of 993.35 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine.

Molecular Properties

Compound Name4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine
PubChem CID160976690
Molecular FormulaC52H76N6O9S2
Molecular Weight993.35 g/mol
Exact Mass992.51
IUPAC Name4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine
SMILESCC(C)C1COCCN1.CC(C)[C@H]1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3cc(C4CC4)n(C)c3c2)CC1.Cn1c(C2CC2)cc2ccc(S(=O)(=O)NC3CCC(C(=O)O)CC3)cc21
InChIInChI=1S/C26H37N3O4S.C19H24N2O4S.C7H15NO/c1-17(2)25-16-33-13-12-29(25)26(30)19-6-9-21(10-7-19)27-34(31,32)22-11-8-20-14-23(18-4-5-18)28(3)24(20)15-22;1-21-17(12-2-3-12)10-14-6-9-16(11-18(14)21)26(24,25)20-15-7-4-13(5-8-15)19(22)23;1-6(2)7-5-9-4-3-8-7/h8,11,14-15,17-19,21,25,27H,4-7,9-10,12-13,16H2,1-3H3;6,9-13,15,20H,2-5,7-8H2,1H3,(H,22,23);6-8H,3-5H2,1-2H3/t19?,21?,25-;;/m1../s1
InChIKeySYYTZEWYNMLNLQ-ODYXVTQASA-N
XLogP7.38
TPSA190.30 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500993.35
LogP ≤ 57.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine?
The IUPAC name of 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine (CID 160976690) is 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine.
What is the SMILES notation for 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine?
The canonical SMILES for 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine is CC(C)C1COCCN1.CC(C)[C@H]1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3cc(C4CC4)n(C)c3c2)CC1.Cn1c(C2CC2)cc2ccc(S(=O)(=O)NC3CCC(C(=O)O)CC3)cc21.
What is the InChIKey of 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine?
The InChIKey is SYYTZEWYNMLNLQ-ODYXVTQASA-N. The full InChI is InChI=1S/C26H37N3O4S.C19H24N2O4S.C7H15NO/c1-17(2)25-16-33-13-12-29(25)26(30)19-6-9-21(10-7-19)27-34(31,32)22-11-8-20-14-23(18-4-5-18)28(3)24(20)15-22;1-21-17(12-2-3-12)10-14-6-9-16(11-18(14)21)26(24,25)20-15-7-4-13(5-8-15)19(22)23;1-6(2)7-5-9-4-3-8-7/h8,11,14-15,17-19,21,25,27H,4-7,9-10,12-13,16H2,1-3H3;6,9-13,15,20H,2-5,7-8H2,1H3,(H,22,23);6-8H,3-5H2,1-2H3/t19?,21?,25-;;/m1../s1.
What are the key properties of 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine?
4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine has a molecular weight of 993.35 g/mol, XLogP of 7.38, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid;2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide;(3S)-3-propan-2-ylmorpholine is sourced from PubChem (CID 160976690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).