2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine

C13H26N2O2S — CID 65045793

IUPAC2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCN1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)13-7-5-6-12(13)14-8-11-15-9-3-2-4-10-15/h12-14H,2-11H2,1H3
InChIKeyHVCUKQWKQYMXSI-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.03
Rot. Bonds5

About 2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine

2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine (PubChem CID 65045793) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
PubChem CID65045793
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCN1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)13-7-5-6-12(13)14-8-11-15-9-3-2-4-10-15/h12-14H,2-11H2,1H3
InChIKeyHVCUKQWKQYMXSI-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
trans-(1R,2R)-2-methyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 96923223
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 115901335
2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine
CID 115901310
2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine
CID 136520503
trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 99638037
2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 91636175
N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461
N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65045704
N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65045905

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine (CID 65045793) is 2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCCN1CCCCC1.
What is the InChIKey of 2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine?
The InChIKey is HVCUKQWKQYMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-18(16,17)13-7-5-6-12(13)14-8-11-15-9-3-2-4-10-15/h12-14H,2-11H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine?
2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine is sourced from PubChem (CID 65045793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).