2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol

C5H13NOS2 — CID 71371398

IUPAC2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol
SMILESCN(C)C(CS)CSO
InChIInChI=1S/C5H13NOS2/c1-6(2)5(3-8)4-9-7/h5,7-8H,3-4H2,1-2H3
InChIKeyRSBITNBMWFUDPF-UHFFFAOYSA-N
MW167.30 g/mol
LogP1.05
Rot. Bonds4

About 2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol

2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol (PubChem CID 71371398) has the molecular formula C5H13NOS2 and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol.

Molecular Properties

Compound Name2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol
PubChem CID71371398
Molecular FormulaC5H13NOS2
Molecular Weight167.30 g/mol
Exact Mass167.04
IUPAC Name2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol
SMILESCN(C)C(CS)CSO
InChIInChI=1S/C5H13NOS2/c1-6(2)5(3-8)4-9-7/h5,7-8H,3-4H2,1-2H3
InChIKeyRSBITNBMWFUDPF-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)-3-hydroxysulfanylpropane-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 2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol?
The IUPAC name of 2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol (CID 71371398) is 2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol.
What is the SMILES notation for 2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol?
The canonical SMILES for 2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol is CN(C)C(CS)CSO.
What is the InChIKey of 2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol?
The InChIKey is RSBITNBMWFUDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS2/c1-6(2)5(3-8)4-9-7/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol?
2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol has a molecular weight of 167.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol is sourced from PubChem (CID 71371398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).