N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine

C13H25NO2S — CID 65045704

IUPACN-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCC1(CNC2CCCC2S(C)(=O)=O)CCCC1
InChIInChI=1S/C13H25NO2S/c1-13(8-3-4-9-13)10-14-11-6-5-7-12(11)17(2,15)16/h11-12,14H,3-10H2,1-2H3
InChIKeyDUDSCSMIFCLELC-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.12
Rot. Bonds4

About N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine

N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65045704) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID65045704
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCC1(CNC2CCCC2S(C)(=O)=O)CCCC1
InChIInChI=1S/C13H25NO2S/c1-13(8-3-4-9-13)10-14-11-6-5-7-12(11)17(2,15)16/h11-12,14H,3-10H2,1-2H3
InChIKeyDUDSCSMIFCLELC-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine (CID 65045704) is N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine is CC1(CNC2CCCC2S(C)(=O)=O)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is DUDSCSMIFCLELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-13(8-3-4-9-13)10-14-11-6-5-7-12(11)17(2,15)16/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 259.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65045704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).