2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine

C3H12NO2PS — CID 142464949

IUPAC2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine
SMILESCS(O)(O)CCNP
InChIInChI=1S/C3H12NO2PS/c1-8(5,6)3-2-4-7/h4-6H,2-3,7H2,1H3
InChIKeyBGYZYKBIQXDREH-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.75
Rot. Bonds3

About 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine

2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine (PubChem CID 142464949) has the molecular formula C3H12NO2PS and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine.

Molecular Properties

Compound Name2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine
PubChem CID142464949
Molecular FormulaC3H12NO2PS
Molecular Weight157.17 g/mol
Exact Mass157.03
IUPAC Name2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine
SMILESCS(O)(O)CCNP
InChIInChI=1S/C3H12NO2PS/c1-8(5,6)3-2-4-7/h4-6H,2-3,7H2,1H3
InChIKeyBGYZYKBIQXDREH-UHFFFAOYSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine 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-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine?
The IUPAC name of 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine (CID 142464949) is 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine.
What is the SMILES notation for 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine?
The canonical SMILES for 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine is CS(O)(O)CCNP.
What is the InChIKey of 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine?
The InChIKey is BGYZYKBIQXDREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12NO2PS/c1-8(5,6)3-2-4-7/h4-6H,2-3,7H2,1H3.
What are the key properties of 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine?
2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine has a molecular weight of 157.17 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-phosphanylethanamine is sourced from PubChem (CID 142464949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).