2-(thian-3-yl)propan-2-amine

C8H17NS — CID 82415632

IUPAC2-(thian-3-yl)propan-2-amine
SMILESCC(C)(N)C1CCCSC1
InChIInChI=1S/C8H17NS/c1-8(2,9)7-4-3-5-10-6-7/h7H,3-6,9H2,1-2H3
InChIKeyQPINHXSMNRNGGJ-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.87
Rot. Bonds1

About 2-(thian-3-yl)propan-2-amine

2-(thian-3-yl)propan-2-amine (PubChem CID 82415632) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(thian-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(thian-3-yl)propan-2-amine
PubChem CID82415632
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(thian-3-yl)propan-2-amine
SMILESCC(C)(N)C1CCCSC1
InChIInChI=1S/C8H17NS/c1-8(2,9)7-4-3-5-10-6-7/h7H,3-6,9H2,1-2H3
InChIKeyQPINHXSMNRNGGJ-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(thian-3-yl)propan-2-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 2-(thian-3-yl)propan-2-amine?
The IUPAC name of 2-(thian-3-yl)propan-2-amine (CID 82415632) is 2-(thian-3-yl)propan-2-amine.
What is the SMILES notation for 2-(thian-3-yl)propan-2-amine?
The canonical SMILES for 2-(thian-3-yl)propan-2-amine is CC(C)(N)C1CCCSC1.
What is the InChIKey of 2-(thian-3-yl)propan-2-amine?
The InChIKey is QPINHXSMNRNGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2,9)7-4-3-5-10-6-7/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-(thian-3-yl)propan-2-amine?
2-(thian-3-yl)propan-2-amine has a molecular weight of 159.30 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-3-yl)propan-2-amine is sourced from PubChem (CID 82415632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).