3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide

C8H18NO3PS3 — CID 88601790

IUPAC3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide
SMILESCCSC(C)(C(=O)NC)C(C)SP(O)(O)=S
InChIInChI=1S/C8H18NO3PS3/c1-5-15-8(3,7(10)9-4)6(2)16-13(11,12)14/h6H,5H2,1-4H3,(H,9,10)(H2,11,12,14)
InChIKeyJWFPCSQNWREBOF-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.58
Rot. Bonds6

About 3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide

3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide (PubChem CID 88601790) has the molecular formula C8H18NO3PS3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide.

Molecular Properties

Compound Name3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide
PubChem CID88601790
Molecular FormulaC8H18NO3PS3
Molecular Weight303.41 g/mol
Exact Mass303.02
IUPAC Name3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide
SMILESCCSC(C)(C(=O)NC)C(C)SP(O)(O)=S
InChIInChI=1S/C8H18NO3PS3/c1-5-15-8(3,7(10)9-4)6(2)16-13(11,12)14/h6H,5H2,1-4H3,(H,9,10)(H2,11,12,14)
InChIKeyJWFPCSQNWREBOF-UHFFFAOYSA-N
XLogP1.58
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
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CID 22213750
4-ethylhexan-2-ylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 175356054
2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide
CID 88557657
N,2,2,4,4,5-hexamethylhexanamide
CID 89008752
3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide
CID 106280332
2,4-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 114900056
2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 107889835
3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide
CID 87376124
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
3-ethylsulfanyl-2-(2-ethylsulfanylpropan-2-yl)-3-methylbutanoic acid
CID 19706190

Frequently Asked Questions

What is the IUPAC name of 3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide?
The IUPAC name of 3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide (CID 88601790) is 3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide.
What is the SMILES notation for 3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide?
The canonical SMILES for 3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide is CCSC(C)(C(=O)NC)C(C)SP(O)(O)=S.
What is the InChIKey of 3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide?
The InChIKey is JWFPCSQNWREBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO3PS3/c1-5-15-8(3,7(10)9-4)6(2)16-13(11,12)14/h6H,5H2,1-4H3,(H,9,10)(H2,11,12,14).
What are the key properties of 3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide?
3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide has a molecular weight of 303.41 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dihydroxyphosphinothioylsulfanyl-2-ethylsulfanyl-N,2-dimethylbutanamide is sourced from PubChem (CID 88601790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).