N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide

C12H16N2O2S2 — CID 60660795

IUPACN-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C#N)CCCCC2)s1
InChIInChI=1S/C12H16N2O2S2/c1-10-5-6-11(17-10)18(15,16)14-12(9-13)7-3-2-4-8-12/h5-6,14H,2-4,7-8H2,1H3
InChIKeyPDNKFUCJSYAYQE-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.56
Rot. Bonds3

About N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide

N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide (PubChem CID 60660795) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide
PubChem CID60660795
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC NameN-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C#N)CCCCC2)s1
InChIInChI=1S/C12H16N2O2S2/c1-10-5-6-11(17-10)18(15,16)14-12(9-13)7-3-2-4-8-12/h5-6,14H,2-4,7-8H2,1H3
InChIKeyPDNKFUCJSYAYQE-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
CID 79987800
N-(1-cyanocycloheptyl)thiophene-2-sulfonamide
CID 61123105
N-[1-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 55082164
2-chloro-N-(1-cyanocycloheptyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61217087
1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807749
2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
CID 60660817
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide
CID 103970067
N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide
CID 75508306
2,5-dichloro-N-(1-cyanocyclopentyl)thiophene-3-sulfonamide
CID 60660889
5-bromo-N-(3-cyanothiolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 79996111
N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60660895
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
CID 61124967

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide (CID 60660795) is N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NC2(C#N)CCCCC2)s1.
What is the InChIKey of N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is PDNKFUCJSYAYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-10-5-6-11(17-10)18(15,16)14-12(9-13)7-3-2-4-8-12/h5-6,14H,2-4,7-8H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide?
N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 284.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 60660795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).