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

C18H22N2O3S — CID 25397465

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H22N2O3S/c1-20(13-8-9-24(22,23)11-13)18(21)12-6-7-17-15(10-12)14-4-2-3-5-16(14)19-17/h6-7,10,13,19H,2-5,8-9,11H2,1H3/t13-/m1/s1
InChIKeyNNMJUNAPDRSXOK-CYBMUJFWSA-N
MW346.45 g/mol
LogP2.31
Rot. Bonds2

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

N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 25397465) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID25397465
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H22N2O3S/c1-20(13-8-9-24(22,23)11-13)18(21)12-6-7-17-15(10-12)14-4-2-3-5-16(14)19-17/h6-7,10,13,19H,2-5,8-9,11H2,1H3/t13-/m1/s1
InChIKeyNNMJUNAPDRSXOK-CYBMUJFWSA-N
XLogP2.31
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
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-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 52528292
N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide
CID 42951546
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(1,1-dioxothiolan-3-yl)-6-fluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203737
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 29257379
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 7404408
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 7259618
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18206397

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 25397465) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is NNMJUNAPDRSXOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-20(13-8-9-24(22,23)11-13)18(21)12-6-7-17-15(10-12)14-4-2-3-5-16(14)19-17/h6-7,10,13,19H,2-5,8-9,11H2,1H3/t13-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 25397465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).