(2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide

C18H24N2O3S — CID 124868439

IUPAC(2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide
SMILESCc1ccc2[nH]c3c(c2c1)C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)CC3
InChIInChI=1S/C18H24N2O3S/c1-11-3-5-16-14(9-11)15-10-13(4-6-17(15)19-16)20-24(21,22)18-7-8-23-12(18)2/h3,5,9,12-13,18-20H,4,6-8,10H2,1-2H3/t12-,13+,18-/m0/s1
InChIKeyIRIQDWQNWXPFLP-JCGVRSQUSA-N
MW348.47 g/mol
LogP2.43
Rot. Bonds3

About (2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide

(2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide (PubChem CID 124868439) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide
PubChem CID124868439
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name(2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide
SMILESCc1ccc2[nH]c3c(c2c1)C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)CC3
InChIInChI=1S/C18H24N2O3S/c1-11-3-5-16-14(9-11)15-10-13(4-6-17(15)19-16)20-24(21,22)18-7-8-23-12(18)2/h3,5,9,12-13,18-20H,4,6-8,10H2,1-2H3/t12-,13+,18-/m0/s1
InChIKeyIRIQDWQNWXPFLP-JCGVRSQUSA-N
XLogP2.43
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096912
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113096937
2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096592
1-(furan-2-yl)-2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]ethanol
CID 110010184
2-methyl-1-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]propan-2-ol
CID 110005257
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide
CID 113097106
6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335228
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862
2-(furan-2-yl)-1-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]propan-2-ol
CID 110010893

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide?
The IUPAC name of (2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide (CID 124868439) is (2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide.
What is the SMILES notation for (2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide?
The canonical SMILES for (2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide is Cc1ccc2[nH]c3c(c2c1)C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)CC3.
What is the InChIKey of (2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide?
The InChIKey is IRIQDWQNWXPFLP-JCGVRSQUSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-11-3-5-16-14(9-11)15-10-13(4-6-17(15)19-16)20-24(21,22)18-7-8-23-12(18)2/h3,5,9,12-13,18-20H,4,6-8,10H2,1-2H3/t12-,13+,18-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide?
(2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide is sourced from PubChem (CID 124868439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).