2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid

C11H14N2O4S2 — CID 106265664

IUPAC2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
SMILESCCCC(CNS(=O)(=O)c1ccc(C#N)s1)C(=O)O
InChIInChI=1S/C11H14N2O4S2/c1-2-3-8(11(14)15)7-13-19(16,17)10-5-4-9(6-12)18-10/h4-5,8,13H,2-3,7H2,1H3,(H,14,15)
InChIKeyDPMBBPBDDJEEOZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.40
Rot. Bonds7

About 2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid

2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid (PubChem CID 106265664) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
PubChem CID106265664
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC Name2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
SMILESCCCC(CNS(=O)(=O)c1ccc(C#N)s1)C(=O)O
InChIInChI=1S/C11H14N2O4S2/c1-2-3-8(11(14)15)7-13-19(16,17)10-5-4-9(6-12)18-10/h4-5,8,13H,2-3,7H2,1H3,(H,14,15)
InChIKeyDPMBBPBDDJEEOZ-UHFFFAOYSA-N
XLogP1.40
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.40
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-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 65222656
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
CID 106265686
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
6-[(5-cyanothiophen-2-yl)sulfonylamino]-4-ethylhexanoic acid
CID 106265633
5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
CID 106266731
2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide
CID 106267367
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 106265938
5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide
CID 114166270
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide
CID 106269838

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid (CID 106265664) is 2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid is CCCC(CNS(=O)(=O)c1ccc(C#N)s1)C(=O)O.
What is the InChIKey of 2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid?
The InChIKey is DPMBBPBDDJEEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c1-2-3-8(11(14)15)7-13-19(16,17)10-5-4-9(6-12)18-10/h4-5,8,13H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid?
2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid has a molecular weight of 302.38 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid is sourced from PubChem (CID 106265664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).