(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C18H22N2O3S — CID 40896802

IUPAC(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCS(=O)(=O)C4)cc3c2C1
InChIInChI=1S/C18H22N2O3S/c1-11-2-4-16-14(8-11)15-9-12(3-5-17(15)20-16)18(21)19-13-6-7-24(22,23)10-13/h3,5,9,11,13,20H,2,4,6-8,10H2,1H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyFYEFHWBJKUPBSC-AAEUAGOBSA-N
MW346.45 g/mol
LogP2.21
Rot. Bonds2

About (6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 40896802) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID40896802
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCS(=O)(=O)C4)cc3c2C1
InChIInChI=1S/C18H22N2O3S/c1-11-2-4-16-14(8-11)15-9-12(3-5-17(15)20-16)18(21)19-13-6-7-24(22,23)10-13/h3,5,9,11,13,20H,2,4,6-8,10H2,1H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyFYEFHWBJKUPBSC-AAEUAGOBSA-N
XLogP2.21
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.21
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

N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203868
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183
methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049
N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692318
6-methyl-N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 4786373
(6S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26447575
N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42909167
(6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41376896

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of (6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 40896802) is (6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for (6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for (6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCS(=O)(=O)C4)cc3c2C1.
What is the InChIKey of (6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is FYEFHWBJKUPBSC-AAEUAGOBSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11-2-4-16-14(8-11)15-9-12(3-5-17(15)20-16)18(21)19-13-6-7-24(22,23)10-13/h3,5,9,11,13,20H,2,4,6-8,10H2,1H3,(H,19,21)/t11-,13-/m0/s1.
What are the key properties of (6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 40896802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).