1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid

C13H19NO4S2 — CID 115433168

IUPAC1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC2(C(=O)O)CCCC2)c(C)s1
InChIInChI=1S/C13H19NO4S2/c1-9-7-11(10(2)19-9)20(17,18)14-8-13(12(15)16)5-3-4-6-13/h7,14H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyPTJAHVGHUSNYJY-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.29
Rot. Bonds5

About 1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433168) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433168
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC2(C(=O)O)CCCC2)c(C)s1
InChIInChI=1S/C13H19NO4S2/c1-9-7-11(10(2)19-9)20(17,18)14-8-13(12(15)16)5-3-4-6-13/h7,14H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyPTJAHVGHUSNYJY-UHFFFAOYSA-N
XLogP2.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433117
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573
1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 43238264
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
1-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445428
1-[[(2,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312080
1-[[(2,5-dibromo-4-methylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450230
1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433142
1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433200
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106001847
1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-ethylpyrrolidine-3-carboxylic acid
CID 63149537
1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309116

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433168) is 1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is Cc1cc(S(=O)(=O)NCC2(C(=O)O)CCCC2)c(C)s1.
What is the InChIKey of 1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is PTJAHVGHUSNYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-9-7-11(10(2)19-9)20(17,18)14-8-13(12(15)16)5-3-4-6-13/h7,14H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).