N-(1-methoxypropan-2-yl)thiolan-3-amine

C8H17NOS — CID 2849473

IUPACN-(1-methoxypropan-2-yl)thiolan-3-amine
SMILESCOCC(C)NC1CCSC1
InChIInChI=1S/C8H17NOS/c1-7(5-10-2)9-8-3-4-11-6-8/h7-9H,3-6H2,1-2H3
InChIKeyKTZJJEXSRMYNJO-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.12
Rot. Bonds4

About N-(1-methoxypropan-2-yl)thiolan-3-amine

N-(1-methoxypropan-2-yl)thiolan-3-amine (PubChem CID 2849473) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)thiolan-3-amine
PubChem CID2849473
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-(1-methoxypropan-2-yl)thiolan-3-amine
SMILESCOCC(C)NC1CCSC1
InChIInChI=1S/C8H17NOS/c1-7(5-10-2)9-8-3-4-11-6-8/h7-9H,3-6H2,1-2H3
InChIKeyKTZJJEXSRMYNJO-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methoxypropan-2-yl)thiolan-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-(1-methoxypropan-2-yl)thiolan-3-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)thiolan-3-amine (CID 2849473) is N-(1-methoxypropan-2-yl)thiolan-3-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)thiolan-3-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)thiolan-3-amine is COCC(C)NC1CCSC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)thiolan-3-amine?
The InChIKey is KTZJJEXSRMYNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(5-10-2)9-8-3-4-11-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)thiolan-3-amine?
N-(1-methoxypropan-2-yl)thiolan-3-amine has a molecular weight of 175.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)thiolan-3-amine is sourced from PubChem (CID 2849473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).