2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H22N2O5S — CID 64812067

IUPAC2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)N1CCCC(C(=O)NC2CCCC2C(=O)O)C1
InChIInChI=1S/C13H22N2O5S/c1-21(19,20)15-7-3-4-9(8-15)12(16)14-11-6-2-5-10(11)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyIEUIFUJBDRRULN-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.03
Rot. Bonds4

About 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64812067) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64812067
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)N1CCCC(C(=O)NC2CCCC2C(=O)O)C1
InChIInChI=1S/C13H22N2O5S/c1-21(19,20)15-7-3-4-9(8-15)12(16)14-11-6-2-5-10(11)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyIEUIFUJBDRRULN-UHFFFAOYSA-N
XLogP0.03
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 64812067) is 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is CS(=O)(=O)N1CCCC(C(=O)NC2CCCC2C(=O)O)C1.
What is the InChIKey of 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is IEUIFUJBDRRULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-21(19,20)15-7-3-4-9(8-15)12(16)14-11-6-2-5-10(11)13(17)18/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64812067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).