2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine

C13H26N2O2S — CID 65046605

IUPAC2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCCN1CCCC1
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)13-7-4-6-12(13)14-8-5-11-15-9-2-3-10-15/h12-14H,2-11H2,1H3
InChIKeyRPZBPSUCWCKXKT-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.03
Rot. Bonds6

About 2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine

2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine (PubChem CID 65046605) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
PubChem CID65046605
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCCN1CCCC1
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)13-7-4-6-12(13)14-8-5-11-15-9-2-3-10-15/h12-14H,2-11H2,1H3
InChIKeyRPZBPSUCWCKXKT-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 65045793
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 115901335
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
1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine
CID 175787085
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046821
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046875
N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine
CID 84599082
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine (CID 65046605) is 2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCCCN1CCCC1.
What is the InChIKey of 2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine?
The InChIKey is RPZBPSUCWCKXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-18(16,17)13-7-4-6-12(13)14-8-5-11-15-9-2-3-10-15/h12-14H,2-11H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine?
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 65046605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).