2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid

C14H21NO4S2 — CID 103342665

IUPAC2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(C)N(C)S(=O)(=O)C2CCCC2C(=O)O)s1
InChIInChI=1S/C14H21NO4S2/c1-9-7-8-12(20-9)10(2)15(3)21(18,19)13-6-4-5-11(13)14(16)17/h7-8,10-11,13H,4-6H2,1-3H3,(H,16,17)
InChIKeyDJGBSACCCQHUSU-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.63
Rot. Bonds5

About 2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid

2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103342665) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103342665
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Name2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(C)N(C)S(=O)(=O)C2CCCC2C(=O)O)s1
InChIInChI=1S/C14H21NO4S2/c1-9-7-8-12(20-9)10(2)15(3)21(18,19)13-6-4-5-11(13)14(16)17/h7-8,10-11,13H,4-6H2,1-3H3,(H,16,17)
InChIKeyDJGBSACCCQHUSU-UHFFFAOYSA-N
XLogP2.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylthiophen-2-yl)sulfonylcyclohexane-1-carboxylic acid
CID 4738539
5-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61028042
2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342880
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342452
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343090
1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465761
2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342275
2,2-dimethyl-3-[methyl-[1-(5-methylthiophen-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64837699
2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342818
2-[(3-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342897
2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 54873112
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 79995043

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid (CID 103342665) is 2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid is Cc1ccc(C(C)N(C)S(=O)(=O)C2CCCC2C(=O)O)s1.
What is the InChIKey of 2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is DJGBSACCCQHUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-9-7-8-12(20-9)10(2)15(3)21(18,19)13-6-4-5-11(13)14(16)17/h7-8,10-11,13H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid?
2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).