(2S)-2-(diethylamino)propane-1-thiol

C7H17NS — CID 14154785

IUPAC(2S)-2-(diethylamino)propane-1-thiol
SMILESCCN(CC)[C@@H](C)CS
InChIInChI=1S/C7H17NS/c1-4-8(5-2)7(3)6-9/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyMWMNZCLQDXMPGZ-ZETCQYMHSA-N
MW147.29 g/mol
LogP1.65
Rot. Bonds4

About (2S)-2-(diethylamino)propane-1-thiol

(2S)-2-(diethylamino)propane-1-thiol (PubChem CID 14154785) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is (2S)-2-(diethylamino)propane-1-thiol.

Molecular Properties

Compound Name(2S)-2-(diethylamino)propane-1-thiol
PubChem CID14154785
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name(2S)-2-(diethylamino)propane-1-thiol
SMILESCCN(CC)[C@@H](C)CS
InChIInChI=1S/C7H17NS/c1-4-8(5-2)7(3)6-9/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyMWMNZCLQDXMPGZ-ZETCQYMHSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2S)-2-(diethylamino)propane-1-thiol 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 (2S)-2-(diethylamino)propane-1-thiol?
The IUPAC name of (2S)-2-(diethylamino)propane-1-thiol (CID 14154785) is (2S)-2-(diethylamino)propane-1-thiol.
What is the SMILES notation for (2S)-2-(diethylamino)propane-1-thiol?
The canonical SMILES for (2S)-2-(diethylamino)propane-1-thiol is CCN(CC)[C@@H](C)CS.
What is the InChIKey of (2S)-2-(diethylamino)propane-1-thiol?
The InChIKey is MWMNZCLQDXMPGZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NS/c1-4-8(5-2)7(3)6-9/h7,9H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-(diethylamino)propane-1-thiol?
(2S)-2-(diethylamino)propane-1-thiol has a molecular weight of 147.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylamino)propane-1-thiol is sourced from PubChem (CID 14154785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).