5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide

C12H16N2O3S2 — CID 106269750

IUPAC5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(C#N)s2)CCOCC1
InChIInChI=1S/C12H16N2O3S2/c1-12(4-6-17-7-5-12)9-14-19(15,16)11-3-2-10(8-13)18-11/h2-3,14H,4-7,9H2,1H3
InChIKeyYXBVJVSQCPMMKY-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.71
Rot. Bonds4

About 5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide

5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106269750) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID106269750
Molecular FormulaC12H16N2O3S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC Name5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(C#N)s2)CCOCC1
InChIInChI=1S/C12H16N2O3S2/c1-12(4-6-17-7-5-12)9-14-19(15,16)11-3-2-10(8-13)18-11/h2-3,14H,4-7,9H2,1H3
InChIKeyYXBVJVSQCPMMKY-UHFFFAOYSA-N
XLogP1.71
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-[(4-methyloxan-4-yl)methyl]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-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 106269709
5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide
CID 106268653
5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114166495
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 103743788
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 106265659
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
5-cyano-N-(cyclopentylmethyl)thiophene-2-sulfonamide
CID 106267298
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide (CID 106269750) is 5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide is CC1(CNS(=O)(=O)c2ccc(C#N)s2)CCOCC1.
What is the InChIKey of 5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is YXBVJVSQCPMMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-12(4-6-17-7-5-12)9-14-19(15,16)11-3-2-10(8-13)18-11/h2-3,14H,4-7,9H2,1H3.
What are the key properties of 5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide?
5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106269750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).