5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide

C11H11N3O2S3 — CID 106268270

IUPAC5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ncsc1CN(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H11N3O2S3/c1-8-10(17-7-13-8)6-14(2)19(15,16)11-4-3-9(5-12)18-11/h3-4,7H,6H2,1-2H3
InChIKeyZNUIHCIKCJRRTO-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.21
Rot. Bonds4

About 5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide

5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106268270) has the molecular formula C11H11N3O2S3 and a molecular weight of 313.43 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID106268270
Molecular FormulaC11H11N3O2S3
Molecular Weight313.43 g/mol
Exact Mass313.00
IUPAC Name5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ncsc1CN(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H11N3O2S3/c1-8-10(17-7-13-8)6-14(2)19(15,16)11-4-3-9(5-12)18-11/h3-4,7H,6H2,1-2H3
InChIKeyZNUIHCIKCJRRTO-UHFFFAOYSA-N
XLogP2.21
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 106267326
4-hydrazinyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63837844
3-amino-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63842225
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 55262102
3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 81258946
2-amino-N,3,6-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103171520
5-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383229
3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843263
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63822516
5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 106269325
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306091

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide (CID 106268270) is 5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide is Cc1ncsc1CN(C)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is ZNUIHCIKCJRRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S3/c1-8-10(17-7-13-8)6-14(2)19(15,16)11-4-3-9(5-12)18-11/h3-4,7H,6H2,1-2H3.
What are the key properties of 5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 313.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106268270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).