3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide

C4H10NO3PS2 — CID 87376124

IUPAC3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide
SMILESCNC(=O)CCSP(O)(O)=S
InChIInChI=1S/C4H10NO3PS2/c1-5-4(6)2-3-11-9(7,8)10/h2-3H2,1H3,(H,5,6)(H2,7,8,10)
InChIKeyHWZRCGRHHWEFGQ-UHFFFAOYSA-N
MW215.24 g/mol
LogP0.06
Rot. Bonds4

About 3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide

3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide (PubChem CID 87376124) has the molecular formula C4H10NO3PS2 and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide
PubChem CID87376124
Molecular FormulaC4H10NO3PS2
Molecular Weight215.24 g/mol
Exact Mass214.98
IUPAC Name3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide
SMILESCNC(=O)CCSP(O)(O)=S
InChIInChI=1S/C4H10NO3PS2/c1-5-4(6)2-3-11-9(7,8)10/h2-3H2,1H3,(H,5,6)(H2,7,8,10)
InChIKeyHWZRCGRHHWEFGQ-UHFFFAOYSA-N
XLogP0.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide?
The IUPAC name of 3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide (CID 87376124) is 3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide.
What is the SMILES notation for 3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide?
The canonical SMILES for 3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide is CNC(=O)CCSP(O)(O)=S.
What is the InChIKey of 3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide?
The InChIKey is HWZRCGRHHWEFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO3PS2/c1-5-4(6)2-3-11-9(7,8)10/h2-3H2,1H3,(H,5,6)(H2,7,8,10).
What are the key properties of 3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide?
3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide has a molecular weight of 215.24 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide is sourced from PubChem (CID 87376124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).