N-diaminophosphinothioyl-2-sulfanylpropanamide

C3H10N3OPS2 — CID 88694732

IUPACN-diaminophosphinothioyl-2-sulfanylpropanamide
SMILESCC(S)C(=O)NP(N)(N)=S
InChIInChI=1S/C3H10N3OPS2/c1-2(9)3(7)6-8(4,5)10/h2,9H,1H3,(H5,4,5,6,7,10)
InChIKeyHZXBBVPVCROXLK-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.44
Rot. Bonds2

About N-diaminophosphinothioyl-2-sulfanylpropanamide

N-diaminophosphinothioyl-2-sulfanylpropanamide (PubChem CID 88694732) has the molecular formula C3H10N3OPS2 and a molecular weight of 199.24 g/mol. Its IUPAC name is N-diaminophosphinothioyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-diaminophosphinothioyl-2-sulfanylpropanamide
PubChem CID88694732
Molecular FormulaC3H10N3OPS2
Molecular Weight199.24 g/mol
Exact Mass199.00
IUPAC NameN-diaminophosphinothioyl-2-sulfanylpropanamide
SMILESCC(S)C(=O)NP(N)(N)=S
InChIInChI=1S/C3H10N3OPS2/c1-2(9)3(7)6-8(4,5)10/h2,9H,1H3,(H5,4,5,6,7,10)
InChIKeyHZXBBVPVCROXLK-UHFFFAOYSA-N
XLogP-0.44
TPSA81.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
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

N-hydroxy-2-sulfanylpropanamide
CID 20542834
2,2-dichloro-N-diaminophosphinothioylpropanamide
CID 56995499
(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
CID 11063423
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide
CID 142108991
2-(2-sulfanylpropanoylamino)ethyl carbamate
CID 107034140
2-methyl-3-sulfanylbutanehydrazide
CID 79415259
N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide
CID 107031126
2-methyl-2-(2-sulfanylpropanoylamino)propanoic acid
CID 89140497
N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide
CID 107026862
sodium 2-[[(2R)-2-sulfanylpropanoyl]amino]acetate
CID 76968776

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphinothioyl-2-sulfanylpropanamide?
The IUPAC name of N-diaminophosphinothioyl-2-sulfanylpropanamide (CID 88694732) is N-diaminophosphinothioyl-2-sulfanylpropanamide.
What is the SMILES notation for N-diaminophosphinothioyl-2-sulfanylpropanamide?
The canonical SMILES for N-diaminophosphinothioyl-2-sulfanylpropanamide is CC(S)C(=O)NP(N)(N)=S.
What is the InChIKey of N-diaminophosphinothioyl-2-sulfanylpropanamide?
The InChIKey is HZXBBVPVCROXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N3OPS2/c1-2(9)3(7)6-8(4,5)10/h2,9H,1H3,(H5,4,5,6,7,10).
What are the key properties of N-diaminophosphinothioyl-2-sulfanylpropanamide?
N-diaminophosphinothioyl-2-sulfanylpropanamide has a molecular weight of 199.24 g/mol, XLogP of -0.44, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphinothioyl-2-sulfanylpropanamide is sourced from PubChem (CID 88694732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).