2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione

C12H22N2S — CID 11736293

IUPAC2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione
SMILESS=C(CNC1CCCCC1)N1CCCC1
InChIInChI=1S/C12H22N2S/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h11,13H,1-10H2
InChIKeyXDPBHCNVRGRZTF-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.33
Rot. Bonds3

About 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione

2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione (PubChem CID 11736293) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione
PubChem CID11736293
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione
SMILESS=C(CNC1CCCCC1)N1CCCC1
InChIInChI=1S/C12H22N2S/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h11,13H,1-10H2
InChIKeyXDPBHCNVRGRZTF-UHFFFAOYSA-N
XLogP2.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione 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 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione?
The IUPAC name of 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione (CID 11736293) is 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione.
What is the SMILES notation for 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione?
The canonical SMILES for 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione is S=C(CNC1CCCCC1)N1CCCC1.
What is the InChIKey of 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione?
The InChIKey is XDPBHCNVRGRZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h11,13H,1-10H2.
What are the key properties of 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione?
2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione has a molecular weight of 226.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanethione is sourced from PubChem (CID 11736293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).