5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide

C12H18N2O2S2 — CID 114166213

IUPAC5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H18N2O2S2/c1-9(2)7-10(3)14(4)18(15,16)12-6-5-11(8-13)17-12/h5-6,9-10H,7H2,1-4H3
InChIKeyYAHSEKBDRDQFNX-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.67
Rot. Bonds5

About 5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide

5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide (PubChem CID 114166213) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
PubChem CID114166213
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H18N2O2S2/c1-9(2)7-10(3)14(4)18(15,16)12-6-5-11(8-13)17-12/h5-6,9-10H,7H2,1-4H3
InChIKeyYAHSEKBDRDQFNX-UHFFFAOYSA-N
XLogP2.67
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 106269281
N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide
CID 106268141
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892
5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 106267582
2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 106268960
5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 106833012
5-cyano-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-sulfonamide
CID 106269262
5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 106268641
5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 106268008
5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide
CID 106267815

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide (CID 114166213) is 5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide is CC(C)CC(C)N(C)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is YAHSEKBDRDQFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-9(2)7-10(3)14(4)18(15,16)12-6-5-11(8-13)17-12/h5-6,9-10H,7H2,1-4H3.
What are the key properties of 5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide has a molecular weight of 286.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114166213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).