N-(1-cyanocycloheptyl)thiophene-2-sulfonamide

C12H16N2O2S2 — CID 61123105

IUPACN-(1-cyanocycloheptyl)thiophene-2-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2cccs2)CCCCCC1
InChIInChI=1S/C12H16N2O2S2/c13-10-12(7-3-1-2-4-8-12)14-18(15,16)11-6-5-9-17-11/h5-6,9,14H,1-4,7-8H2
InChIKeyGNMUDKLKGUANKP-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.64
Rot. Bonds3

About N-(1-cyanocycloheptyl)thiophene-2-sulfonamide

N-(1-cyanocycloheptyl)thiophene-2-sulfonamide (PubChem CID 61123105) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)thiophene-2-sulfonamide
PubChem CID61123105
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC NameN-(1-cyanocycloheptyl)thiophene-2-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2cccs2)CCCCCC1
InChIInChI=1S/C12H16N2O2S2/c13-10-12(7-3-1-2-4-8-12)14-18(15,16)11-6-5-9-17-11/h5-6,9,14H,1-4,7-8H2
InChIKeyGNMUDKLKGUANKP-UHFFFAOYSA-N
XLogP2.64
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide
CID 60660795
1-(thiophen-2-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123756
1-(thiophen-2-ylsulfonylamino)cycloheptane-1-carbothioamide
CID 61124079
N-(1-methylcyclopropyl)thiophene-2-sulfonamide
CID 130660498
2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
CID 60660817
5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
CID 79987800
2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide
CID 60660791
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
CID 61124967
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16539388
ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 51117335
N-[1-(3-chlorophenyl)cyclopentyl]thiophene-2-sulfonamide
CID 110440535
6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide
CID 114613786

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)thiophene-2-sulfonamide (CID 61123105) is N-(1-cyanocycloheptyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)thiophene-2-sulfonamide is N#CC1(NS(=O)(=O)c2cccs2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)thiophene-2-sulfonamide?
The InChIKey is GNMUDKLKGUANKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c13-10-12(7-3-1-2-4-8-12)14-18(15,16)11-6-5-9-17-11/h5-6,9,14H,1-4,7-8H2.
What are the key properties of N-(1-cyanocycloheptyl)thiophene-2-sulfonamide?
N-(1-cyanocycloheptyl)thiophene-2-sulfonamide has a molecular weight of 284.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61123105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).