1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid

C11H20N2O4S — CID 82762598

IUPAC1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H20N2O4S/c1-11(10(14)15)6-4-5-9(11)12-18(16,17)13-7-2-3-8-13/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyXQUWGLNCQWLEPC-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.56
Rot. Bonds4

About 1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 82762598) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID82762598
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H20N2O4S/c1-11(10(14)15)6-4-5-9(11)12-18(16,17)13-7-2-3-8-13/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyXQUWGLNCQWLEPC-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 82763275
2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762373
2-[(1,1-dioxothian-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763532
N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidine-1-sulfonamide
CID 114631638
1-methyl-2-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83213759
2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82763204
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
1-methyl-2-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid
CID 83214139
1-methyl-2-(piperidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214218
2-(azepane-1-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83213614
2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 116635681
1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82766003

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid (CID 82762598) is 1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is XQUWGLNCQWLEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-11(10(14)15)6-4-5-9(11)12-18(16,17)13-7-2-3-8-13/h9,12H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).