3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide

C14H15N3O2S2 — CID 79611395

IUPAC3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCc2cc(C#N)cs2)c1
InChIInChI=1S/C14H15N3O2S2/c1-17(2)21(18,19)14-5-3-4-12(7-14)16-9-13-6-11(8-15)10-20-13/h3-7,10,16H,9H2,1-2H3
InChIKeyLBGONYCTGOCCBA-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.48
Rot. Bonds5

About 3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide

3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 79611395) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID79611395
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCc2cc(C#N)cs2)c1
InChIInChI=1S/C14H15N3O2S2/c1-17(2)21(18,19)14-5-3-4-12(7-14)16-9-13-6-11(8-15)10-20-13/h3-7,10,16H,9H2,1-2H3
InChIKeyLBGONYCTGOCCBA-UHFFFAOYSA-N
XLogP2.48
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide 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

3-[(4-cyanothiophen-2-yl)methylamino]benzenesulfonamide
CID 79606119
3-[(4-cyanothiophen-2-yl)methylamino]benzoic acid
CID 79614253
5-[(4-cyanothiophen-2-yl)methylamino]-2-methylbenzenesulfonamide
CID 79606563
5-[[4-(dimethylamino)anilino]methyl]thiophene-3-carbonitrile
CID 79613664
3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43715556
5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile
CID 79606035
3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43232434
N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43715592
2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 79614705
1-(3-cyanophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8614863
N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide
CID 75385267
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 79611395) is 3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NCc2cc(C#N)cs2)c1.
What is the InChIKey of 3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is LBGONYCTGOCCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-17(2)21(18,19)14-5-3-4-12(7-14)16-9-13-6-11(8-15)10-20-13/h3-7,10,16H,9H2,1-2H3.
What are the key properties of 3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 321.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 79611395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).