N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine

C15H21F2NO2S — CID 84599082

IUPACN-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2NO2S/c1-21(19,20)15-6-2-5-14(15)18-7-3-4-11-8-12(16)10-13(17)9-11/h8-10,14-15,18H,2-7H2,1H3
InChIKeyIESAKJYTCBADTM-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.45
Rot. Bonds6

About N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine

N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 84599082) has the molecular formula C15H21F2NO2S and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID84599082
Molecular FormulaC15H21F2NO2S
Molecular Weight317.40 g/mol
Exact Mass317.13
IUPAC NameN-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2NO2S/c1-21(19,20)15-6-2-5-14(15)18-7-3-4-11-8-12(16)10-13(17)9-11/h8-10,14-15,18H,2-7H2,1H3
InChIKeyIESAKJYTCBADTM-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65045905
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine
CID 136520484
N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 64762317
2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine
CID 115901310
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 65045793
N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine
CID 115900911
trans-(1R,2R)-2-[3-[[(1S,2R)-2-methylsulfonylcyclohexyl]amino]propyl]cyclohexan-1-ol
CID 124726331
trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 99638037
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 103931536

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine (CID 84599082) is N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is IESAKJYTCBADTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2S/c1-21(19,20)15-6-2-5-14(15)18-7-3-4-11-8-12(16)10-13(17)9-11/h8-10,14-15,18H,2-7H2,1H3.
What are the key properties of N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine?
N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 317.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 84599082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).