1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one

C6H14NOPS — CID 91239993

IUPAC1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one
SMILESCCCNC(CS)C(=O)P
InChIInChI=1S/C6H14NOPS/c1-2-3-7-5(4-10)6(8)9/h5,7,10H,2-4,9H2,1H3
InChIKeyOOZSXMFBQCGSFA-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.69
Rot. Bonds5

About 1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one

1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one (PubChem CID 91239993) has the molecular formula C6H14NOPS and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one.

Molecular Properties

Compound Name1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one
PubChem CID91239993
Molecular FormulaC6H14NOPS
Molecular Weight179.22 g/mol
Exact Mass179.05
IUPAC Name1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one
SMILESCCCNC(CS)C(=O)P
InChIInChI=1S/C6H14NOPS/c1-2-3-7-5(4-10)6(8)9/h5,7,10H,2-4,9H2,1H3
InChIKeyOOZSXMFBQCGSFA-UHFFFAOYSA-N
XLogP0.69
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-[2-[[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]ethylamino]-3-sulfanylpropanoate;technetium-99
CID 23650814
3,5-bis(propylamino)heptane-2,6-dione
CID 21339708
(2S)-2-(nonylamino)-3-sulfanylpropanoic acid
CID 135373067
CID 172894479
CID 172894479
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
ethyl 2-(propylamino)butanoate
CID 60795885
methyl 2-(propylamino)pentanoate
CID 60795873
ethyl 2-(propylamino)pentanoate
CID 21021838
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
N,N'-dipropyl-2-(propylamino)butanediamide
CID 90878488
ethyl (2R)-2-(hydroxymethylamino)-3-sulfanylpropanoate
CID 54495690
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016

Frequently Asked Questions

What is the IUPAC name of 1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one?
The IUPAC name of 1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one (CID 91239993) is 1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one.
What is the SMILES notation for 1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one?
The canonical SMILES for 1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one is CCCNC(CS)C(=O)P.
What is the InChIKey of 1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one?
The InChIKey is OOZSXMFBQCGSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOPS/c1-2-3-7-5(4-10)6(8)9/h5,7,10H,2-4,9H2,1H3.
What are the key properties of 1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one?
1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one has a molecular weight of 179.22 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanyl-2-(propylamino)-3-sulfanylpropan-1-one is sourced from PubChem (CID 91239993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).