1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid

C9H17NO4S — CID 114992122

IUPAC1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)CCNC1(C(=O)O)CCCC1
InChIInChI=1S/C9H17NO4S/c1-15(13,14)7-6-10-9(8(11)12)4-2-3-5-9/h10H,2-7H2,1H3,(H,11,12)
InChIKeyCPCFUEMSPHFUOH-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.02
Rot. Bonds5

About 1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid

1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid (PubChem CID 114992122) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid
PubChem CID114992122
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)CCNC1(C(=O)O)CCCC1
InChIInChI=1S/C9H17NO4S/c1-15(13,14)7-6-10-9(8(11)12)4-2-3-5-9/h10H,2-7H2,1H3,(H,11,12)
InChIKeyCPCFUEMSPHFUOH-UHFFFAOYSA-N
XLogP0.02
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
1-(2-acetamidoethylamino)cyclohexane-1-carboxylic acid
CID 114988533
1-(3-aminopropylamino)cyclooctane-1-carboxylic acid
CID 115000755
1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid
CID 71564982
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
1-(2-azidoethylamino)cyclopentane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid (CID 114992122) is 1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid is CS(=O)(=O)CCNC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is CPCFUEMSPHFUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-15(13,14)7-6-10-9(8(11)12)4-2-3-5-9/h10H,2-7H2,1H3,(H,11,12).
What are the key properties of 1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid?
1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 235.30 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114992122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).