1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

C13H26N2S — CID 43296422

IUPAC1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)C1CCCCC1
InChIInChI=1S/C13H26N2S/c1-15(12-7-8-16-10-12)13(9-14)11-5-3-2-4-6-11/h11-13H,2-10,14H2,1H3
InChIKeyDIKWLDQEGACWFA-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.33
Rot. Bonds4

About 1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 43296422) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID43296422
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)C1CCCCC1
InChIInChI=1S/C13H26N2S/c1-15(12-7-8-16-10-12)13(9-14)11-5-3-2-4-6-11/h11-13H,2-10,14H2,1H3
InChIKeyDIKWLDQEGACWFA-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine 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 1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (CID 43296422) is 1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is CN(C1CCSC1)C(CN)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is DIKWLDQEGACWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-15(12-7-8-16-10-12)13(9-14)11-5-3-2-4-6-11/h11-13H,2-10,14H2,1H3.
What are the key properties of 1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 242.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 43296422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).