N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide

C19H24N2O3S — CID 42951546

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide
SMILESCN(C(=O)c1cccc2c3c([nH]c12)CCCCC3)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24N2O3S/c1-21(13-10-11-25(23,24)12-13)19(22)16-8-5-7-15-14-6-3-2-4-9-17(14)20-18(15)16/h5,7-8,13,20H,2-4,6,9-12H2,1H3
InChIKeyANUWXJXZGCJSBT-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.70
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide (PubChem CID 42951546) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide
PubChem CID42951546
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide
SMILESCN(C(=O)c1cccc2c3c([nH]c12)CCCCC3)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24N2O3S/c1-21(13-10-11-25(23,24)12-13)19(22)16-8-5-7-15-14-6-3-2-4-9-17(14)20-18(15)16/h5,7-8,13,20H,2-4,6,9-12H2,1H3
InChIKeyANUWXJXZGCJSBT-UHFFFAOYSA-N
XLogP2.70
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.70
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-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 25397465
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94040968
(1,1-dioxothian-3-yl) 5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylate
CID 102559253
N-methyl-N-[2-[methyl(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonyl)amino]ethyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
CID 166185537
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715
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)-N,2,4,5-tetramethylbenzamide
CID 110763131
3-amino-2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 112575061
6-(dimethylamino)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 23470505
3-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-nitrobenzamide
CID 115548590
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 52528292

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide (CID 42951546) is N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide is CN(C(=O)c1cccc2c3c([nH]c12)CCCCC3)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide?
The InChIKey is ANUWXJXZGCJSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-21(13-10-11-25(23,24)12-13)19(22)16-8-5-7-15-14-6-3-2-4-9-17(14)20-18(15)16/h5,7-8,13,20H,2-4,6,9-12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide is sourced from PubChem (CID 42951546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).