1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine

C13H26N2S — CID 43394898

IUPAC1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine
SMILESCC(C)N1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-11(2)15-7-3-12(4-8-15)14-13-5-9-16-10-6-13/h11-14H,3-10H2,1-2H3
InChIKeyOGZXTCZQQPLZQW-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.34
Rot. Bonds3

About 1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine

1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine (PubChem CID 43394898) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine
PubChem CID43394898
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine
SMILESCC(C)N1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-11(2)15-7-3-12(4-8-15)14-13-5-9-16-10-6-13/h11-14H,3-10H2,1-2H3
InChIKeyOGZXTCZQQPLZQW-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-N-(thian-4-yl)piperidin-4-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 1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine?
The IUPAC name of 1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine (CID 43394898) is 1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine?
The canonical SMILES for 1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine is CC(C)N1CCC(NC2CCSCC2)CC1.
What is the InChIKey of 1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine?
The InChIKey is OGZXTCZQQPLZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-11(2)15-7-3-12(4-8-15)14-13-5-9-16-10-6-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine?
1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine has a molecular weight of 242.43 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(thian-4-yl)piperidin-4-amine is sourced from PubChem (CID 43394898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).