5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide

C10H14N2O4S3 — CID 106268602

IUPAC5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(C#N)s1)S(C)(=O)=O
InChIInChI=1S/C10H14N2O4S3/c1-10(2,18(3,13)14)7-12-19(15,16)9-5-4-8(6-11)17-9/h4-5,12H,7H2,1-3H3
InChIKeyNXCVRKJCTAMZKN-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.72
Rot. Bonds5

About 5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide

5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide (PubChem CID 106268602) has the molecular formula C10H14N2O4S3 and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
PubChem CID106268602
Molecular FormulaC10H14N2O4S3
Molecular Weight322.43 g/mol
Exact Mass322.01
IUPAC Name5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(C#N)s1)S(C)(=O)=O
InChIInChI=1S/C10H14N2O4S3/c1-10(2,18(3,13)14)7-12-19(15,16)9-5-4-8(6-11)17-9/h4-5,12H,7H2,1-3H3
InChIKeyNXCVRKJCTAMZKN-UHFFFAOYSA-N
XLogP0.72
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 114166516
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106266850
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide
CID 106267367
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106428781
5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide
CID 114166393
5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 106267955
5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114166495

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide (CID 106268602) is 5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide is CC(C)(CNS(=O)(=O)c1ccc(C#N)s1)S(C)(=O)=O.
What is the InChIKey of 5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide?
The InChIKey is NXCVRKJCTAMZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S3/c1-10(2,18(3,13)14)7-12-19(15,16)9-5-4-8(6-11)17-9/h4-5,12H,7H2,1-3H3.
What are the key properties of 5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide?
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106268602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).