N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine

C14H26N2OS — CID 71937281

IUPACN-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine
SMILESC1CCC(NCC2(N3CCOCC3)CCSC2)C1
InChIInChI=1S/C14H26N2OS/c1-2-4-13(3-1)15-11-14(5-10-18-12-14)16-6-8-17-9-7-16/h13,15H,1-12H2
InChIKeyNUAJOWVEWPTBTQ-UHFFFAOYSA-N
MW270.44 g/mol
LogP1.73
Rot. Bonds4

About N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine

N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine (PubChem CID 71937281) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine
PubChem CID71937281
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine
SMILESC1CCC(NCC2(N3CCOCC3)CCSC2)C1
InChIInChI=1S/C14H26N2OS/c1-2-4-13(3-1)15-11-14(5-10-18-12-14)16-6-8-17-9-7-16/h13,15H,1-12H2
InChIKeyNUAJOWVEWPTBTQ-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine 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-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine (CID 71937281) is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine is C1CCC(NCC2(N3CCOCC3)CCSC2)C1.
What is the InChIKey of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine?
The InChIKey is NUAJOWVEWPTBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-4-13(3-1)15-11-14(5-10-18-12-14)16-6-8-17-9-7-16/h13,15H,1-12H2.
What are the key properties of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine?
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine has a molecular weight of 270.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentanamine is sourced from PubChem (CID 71937281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).