(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C17H23N3O3S — CID 38012087

IUPAC(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESC[C@@H]1CCc2[nH]c3c(C(=O)NCCNS(C)(=O)=O)cccc3c2C1
InChIInChI=1S/C17H23N3O3S/c1-11-6-7-15-14(10-11)12-4-3-5-13(16(12)20-15)17(21)18-8-9-19-24(2,22)23/h3-5,11,19-20H,6-10H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeySXSGIJPNXHXUKH-LLVKDONJSA-N
MW349.46 g/mol
LogP1.57
Rot. Bonds5

About (6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 38012087) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID38012087
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESC[C@@H]1CCc2[nH]c3c(C(=O)NCCNS(C)(=O)=O)cccc3c2C1
InChIInChI=1S/C17H23N3O3S/c1-11-6-7-15-14(10-11)12-4-3-5-13(16(12)20-15)17(21)18-8-9-19-24(2,22)23/h3-5,11,19-20H,6-10H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeySXSGIJPNXHXUKH-LLVKDONJSA-N
XLogP1.57
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide with MolForge

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Related Compounds

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CK-666
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Indolyl quinolinone deriv. 10
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Indolyl quinolinone deriv. 11
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Indolyl quinolinone deriv. 12
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Indolyl quinolinone deriv. 13
CID 5329379
N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
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Epz-719
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Phenyl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 363110
2-[2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-1H-indol-5-yl]-N,N-diethylacetamide
CID 18914248

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of (6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 38012087) is (6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for (6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for (6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is C[C@@H]1CCc2[nH]c3c(C(=O)NCCNS(C)(=O)=O)cccc3c2C1.
What is the InChIKey of (6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is SXSGIJPNXHXUKH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11-6-7-15-14(10-11)12-4-3-5-13(16(12)20-15)17(21)18-8-9-19-24(2,22)23/h3-5,11,19-20H,6-10H2,1-2H3,(H,18,21)/t11-/m1/s1.
What are the key properties of (6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 38012087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).