(3S)-N-(3-methoxypropyl)thiolan-3-amine

C8H17NOS — CID 2247130

IUPAC(3S)-N-(3-methoxypropyl)thiolan-3-amine
SMILESCOCCCN[C@H]1CCSC1
InChIInChI=1S/C8H17NOS/c1-10-5-2-4-9-8-3-6-11-7-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyOIUKTWGBQCQARI-QMMMGPOBSA-N
MW175.30 g/mol
LogP1.12
Rot. Bonds5

About (3S)-N-(3-methoxypropyl)thiolan-3-amine

(3S)-N-(3-methoxypropyl)thiolan-3-amine (PubChem CID 2247130) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (3S)-N-(3-methoxypropyl)thiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-(3-methoxypropyl)thiolan-3-amine
PubChem CID2247130
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(3S)-N-(3-methoxypropyl)thiolan-3-amine
SMILESCOCCCN[C@H]1CCSC1
InChIInChI=1S/C8H17NOS/c1-10-5-2-4-9-8-3-6-11-7-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyOIUKTWGBQCQARI-QMMMGPOBSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-N-(3-methoxypropyl)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 (3S)-N-(3-methoxypropyl)thiolan-3-amine?
The IUPAC name of (3S)-N-(3-methoxypropyl)thiolan-3-amine (CID 2247130) is (3S)-N-(3-methoxypropyl)thiolan-3-amine.
What is the SMILES notation for (3S)-N-(3-methoxypropyl)thiolan-3-amine?
The canonical SMILES for (3S)-N-(3-methoxypropyl)thiolan-3-amine is COCCCN[C@H]1CCSC1.
What is the InChIKey of (3S)-N-(3-methoxypropyl)thiolan-3-amine?
The InChIKey is OIUKTWGBQCQARI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NOS/c1-10-5-2-4-9-8-3-6-11-7-8/h8-9H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-N-(3-methoxypropyl)thiolan-3-amine?
(3S)-N-(3-methoxypropyl)thiolan-3-amine has a molecular weight of 175.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methoxypropyl)thiolan-3-amine is sourced from PubChem (CID 2247130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).