N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide

C17H22N2OS — CID 77084236

IUPACN-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
SMILESCSCCN(C)C(=O)c1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C17H22N2OS/c1-19(9-10-21-2)17(20)12-7-8-14-13-5-3-4-6-15(13)18-16(14)11-12/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyRUUIMLYXRHQYEA-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.48
Rot. Bonds4

About N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide

N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide (PubChem CID 77084236) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
PubChem CID77084236
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
SMILESCSCCN(C)C(=O)c1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C17H22N2OS/c1-19(9-10-21-2)17(20)12-7-8-14-13-5-3-4-6-15(13)18-16(14)11-12/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyRUUIMLYXRHQYEA-UHFFFAOYSA-N
XLogP3.48
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
CID 7451039
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 29257379
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 112658883
N-methyl-N-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71942745
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77089569
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide
CID 114217639
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide (CID 77084236) is N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide is CSCCN(C)C(=O)c1ccc2c3c([nH]c2c1)CCCC3.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The InChIKey is RUUIMLYXRHQYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-19(9-10-21-2)17(20)12-7-8-14-13-5-3-4-6-15(13)18-16(14)11-12/h7-8,11,18H,3-6,9-10H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide is sourced from PubChem (CID 77084236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).