2-dimethoxyphosphinothioylsulfanylpropanamide

C5H12NO3PS2 — CID 57352711

IUPAC2-dimethoxyphosphinothioylsulfanylpropanamide
SMILESCOP(=S)(OC)SC(C)C(N)=O
InChIInChI=1S/C5H12NO3PS2/c1-4(5(6)7)12-10(11,8-2)9-3/h4H,1-3H3,(H2,6,7)
InChIKeyKXNRGIJTLTVNAS-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.11
Rot. Bonds5

About 2-dimethoxyphosphinothioylsulfanylpropanamide

2-dimethoxyphosphinothioylsulfanylpropanamide (PubChem CID 57352711) has the molecular formula C5H12NO3PS2 and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-dimethoxyphosphinothioylsulfanylpropanamide.

Molecular Properties

Compound Name2-dimethoxyphosphinothioylsulfanylpropanamide
PubChem CID57352711
Molecular FormulaC5H12NO3PS2
Molecular Weight229.26 g/mol
Exact Mass229.00
IUPAC Name2-dimethoxyphosphinothioylsulfanylpropanamide
SMILESCOP(=S)(OC)SC(C)C(N)=O
InChIInChI=1S/C5H12NO3PS2/c1-4(5(6)7)12-10(11,8-2)9-3/h4H,1-3H3,(H2,6,7)
InChIKeyKXNRGIJTLTVNAS-UHFFFAOYSA-N
XLogP1.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-dimethoxyphosphinothioylsulfanylbutanoate
CID 123905574
1,3,3-tris(dimethoxyphosphinothioylsulfanyl)propan-1-ol
CID 13354510
1-O-tert-butyl 4-O-ethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate
CID 87146600
2-propan-2-ylsulfanylpropanamide
CID 59881908
2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide
CID 57305132
diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;diethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanylbutanedioate
CID 159128366
2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid
CID 43082896
2-diethoxyphosphinothioylsulfanyl-1-phenylpropan-1-one
CID 14740095
bis(dimethoxyphosphinothioylsulfanyl) butanedioate
CID 87432209
methyl (2R)-2-(dichlorophosphinothioylamino)propanoate
CID 10868283
ethane;2-methylpropanamide;molecular hydrogen
CID 143394269
2-(1-hydroxypropan-2-ylsulfanyl)propanamide
CID 115659409

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphinothioylsulfanylpropanamide?
The IUPAC name of 2-dimethoxyphosphinothioylsulfanylpropanamide (CID 57352711) is 2-dimethoxyphosphinothioylsulfanylpropanamide.
What is the SMILES notation for 2-dimethoxyphosphinothioylsulfanylpropanamide?
The canonical SMILES for 2-dimethoxyphosphinothioylsulfanylpropanamide is COP(=S)(OC)SC(C)C(N)=O.
What is the InChIKey of 2-dimethoxyphosphinothioylsulfanylpropanamide?
The InChIKey is KXNRGIJTLTVNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO3PS2/c1-4(5(6)7)12-10(11,8-2)9-3/h4H,1-3H3,(H2,6,7).
What are the key properties of 2-dimethoxyphosphinothioylsulfanylpropanamide?
2-dimethoxyphosphinothioylsulfanylpropanamide has a molecular weight of 229.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphinothioylsulfanylpropanamide is sourced from PubChem (CID 57352711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).