2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide

C26H37N3O4S — CID 58074376

IUPAC2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
SMILESCC(C)[C@H]1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3cc(C4CC4)n(C)c3c2)CC1
InChIInChI=1S/C26H37N3O4S/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/h8,11,14-15,17-19,21,25,27H,4-7,9-10,12-13,16H2,1-3H3/t19?,21?,25-/m1/s1
InChIKeyKYLJMJONGAXXKQ-BPOAOHNVSA-N
MW487.67 g/mol
LogP3.78
Rot. Bonds6

About 2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide

2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide (PubChem CID 58074376) has the molecular formula C26H37N3O4S and a molecular weight of 487.67 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
PubChem CID58074376
Molecular FormulaC26H37N3O4S
Molecular Weight487.67 g/mol
Exact Mass487.25
IUPAC Name2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
SMILESCC(C)[C@H]1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3cc(C4CC4)n(C)c3c2)CC1
InChIInChI=1S/C26H37N3O4S/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/h8,11,14-15,17-19,21,25,27H,4-7,9-10,12-13,16H2,1-3H3/t19?,21?,25-/m1/s1
InChIKeyKYLJMJONGAXXKQ-BPOAOHNVSA-N
XLogP3.78
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?
The IUPAC name of 2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide (CID 58074376) is 2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide.
What is the SMILES notation for 2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?
The canonical SMILES for 2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide is CC(C)[C@H]1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3cc(C4CC4)n(C)c3c2)CC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?
The InChIKey is KYLJMJONGAXXKQ-BPOAOHNVSA-N. The full InChI is InChI=1S/C26H37N3O4S/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/h8,11,14-15,17-19,21,25,27H,4-7,9-10,12-13,16H2,1-3H3/t19?,21?,25-/m1/s1.
What are the key properties of 2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?
2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide has a molecular weight of 487.67 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide is sourced from PubChem (CID 58074376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).