N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C15H23N3O3S2 — CID 119475088

IUPACN-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESNC1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H23N3O3S2/c16-11-3-5-12(6-4-11)17-15(19)14-13(7-10-22-14)23(20,21)18-8-1-2-9-18/h7,10-12H,1-6,8-9,16H2,(H,17,19)
InChIKeyGXCGGNYPQFGLNQ-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.53
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 119475088) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID119475088
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESNC1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H23N3O3S2/c16-11-3-5-12(6-4-11)17-15(19)14-13(7-10-22-14)23(20,21)18-8-1-2-9-18/h7,10-12H,1-6,8-9,16H2,(H,17,19)
InChIKeyGXCGGNYPQFGLNQ-UHFFFAOYSA-N
XLogP1.53
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 49073387
3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 24670564
N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375055
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076860
N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 51297984
N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 27374234
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
tert-butyl 4-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 55985527
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 119455908
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 55535803

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 119475088) is N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is NC1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is GXCGGNYPQFGLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c16-11-3-5-12(6-4-11)17-15(19)14-13(7-10-22-14)23(20,21)18-8-1-2-9-18/h7,10-12H,1-6,8-9,16H2,(H,17,19).
What are the key properties of N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 119475088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).