4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid

C10H12N2O4S2 — CID 106265760

IUPAC4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
SMILESCC(CCNS(=O)(=O)c1ccc(C#N)s1)C(=O)O
InChIInChI=1S/C10H12N2O4S2/c1-7(10(13)14)4-5-12-18(15,16)9-3-2-8(6-11)17-9/h2-3,7,12H,4-5H2,1H3,(H,13,14)
InChIKeyPFSFRNNXYZDBBR-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.01
Rot. Bonds6

About 4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid

4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid (PubChem CID 106265760) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
PubChem CID106265760
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Name4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
SMILESCC(CCNS(=O)(=O)c1ccc(C#N)s1)C(=O)O
InChIInChI=1S/C10H12N2O4S2/c1-7(10(13)14)4-5-12-18(15,16)9-3-2-8(6-11)17-9/h2-3,7,12H,4-5H2,1H3,(H,13,14)
InChIKeyPFSFRNNXYZDBBR-UHFFFAOYSA-N
XLogP1.01
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
CID 106265542
2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 80540211
6-[(5-cyanothiophen-2-yl)sulfonylamino]-4-ethylhexanoic acid
CID 106265633
2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 106265664
(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
CID 106265686
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 114165907
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 106265938
2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
CID 114166352
4-[(3-cyanophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540461
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid?
The IUPAC name of 4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid (CID 106265760) is 4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid is CC(CCNS(=O)(=O)c1ccc(C#N)s1)C(=O)O.
What is the InChIKey of 4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid?
The InChIKey is PFSFRNNXYZDBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c1-7(10(13)14)4-5-12-18(15,16)9-3-2-8(6-11)17-9/h2-3,7,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid?
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid has a molecular weight of 288.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid is sourced from PubChem (CID 106265760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).