5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide

C12H18N2O3S2 — CID 106267815

IUPAC5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H18N2O3S2/c1-3-10(4-2)14(7-8-15)19(16,17)12-6-5-11(9-13)18-12/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeyCYHDUYAXQBJRSB-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.79
Rot. Bonds7

About 5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide

5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide (PubChem CID 106267815) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide
PubChem CID106267815
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H18N2O3S2/c1-3-10(4-2)14(7-8-15)19(16,17)12-6-5-11(9-13)18-12/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeyCYHDUYAXQBJRSB-UHFFFAOYSA-N
XLogP1.79
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 106269281
5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 106269325
5-cyano-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-sulfonamide
CID 106269262
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
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
methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propan-2-ylamino]acetate
CID 106267874
4-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 55208489
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 106266702

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide (CID 106267815) is 5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide is CCC(CC)N(CCO)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide?
The InChIKey is CYHDUYAXQBJRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-3-10(4-2)14(7-8-15)19(16,17)12-6-5-11(9-13)18-12/h5-6,10,15H,3-4,7-8H2,1-2H3.
What are the key properties of 5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide?
5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 106267815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).