N-propan-2-ylthiolan-3-amine

C7H15NS — CID 43177202

IUPACN-propan-2-ylthiolan-3-amine
SMILESCC(C)NC1CCSC1
InChIInChI=1S/C7H15NS/c1-6(2)8-7-3-4-9-5-7/h6-8H,3-5H2,1-2H3
InChIKeyMGGQZNWEHBVKGF-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.49
Rot. Bonds2

About N-propan-2-ylthiolan-3-amine

N-propan-2-ylthiolan-3-amine (PubChem CID 43177202) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-propan-2-ylthiolan-3-amine.

Molecular Properties

Compound NameN-propan-2-ylthiolan-3-amine
PubChem CID43177202
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-propan-2-ylthiolan-3-amine
SMILESCC(C)NC1CCSC1
InChIInChI=1S/C7H15NS/c1-6(2)8-7-3-4-9-5-7/h6-8H,3-5H2,1-2H3
InChIKeyMGGQZNWEHBVKGF-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propan-2-ylthiolan-3-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 N-propan-2-ylthiolan-3-amine?
The IUPAC name of N-propan-2-ylthiolan-3-amine (CID 43177202) is N-propan-2-ylthiolan-3-amine.
What is the SMILES notation for N-propan-2-ylthiolan-3-amine?
The canonical SMILES for N-propan-2-ylthiolan-3-amine is CC(C)NC1CCSC1.
What is the InChIKey of N-propan-2-ylthiolan-3-amine?
The InChIKey is MGGQZNWEHBVKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)8-7-3-4-9-5-7/h6-8H,3-5H2,1-2H3.
What are the key properties of N-propan-2-ylthiolan-3-amine?
N-propan-2-ylthiolan-3-amine has a molecular weight of 145.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylthiolan-3-amine is sourced from PubChem (CID 43177202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).