N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine

C3H14N4O2P2S — CID 21113908

IUPACN-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine
SMILESCC(C)NP(N)(=S)OP(N)(N)=O
InChIInChI=1S/C3H14N4O2P2S/c1-3(2)7-11(6,12)9-10(4,5)8/h3H,1-2H3,(H4,4,5,8)(H3,6,7,12)
InChIKeySNDRXMPWINAWHO-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.21
Rot. Bonds4

About N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine

N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine (PubChem CID 21113908) has the molecular formula C3H14N4O2P2S and a molecular weight of 232.19 g/mol. Its IUPAC name is N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine.

Molecular Properties

Compound NameN-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine
PubChem CID21113908
Molecular FormulaC3H14N4O2P2S
Molecular Weight232.19 g/mol
Exact Mass232.03
IUPAC NameN-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine
SMILESCC(C)NP(N)(=S)OP(N)(N)=O
InChIInChI=1S/C3H14N4O2P2S/c1-3(2)7-11(6,12)9-10(4,5)8/h3H,1-2H3,(H4,4,5,8)(H3,6,7,12)
InChIKeySNDRXMPWINAWHO-UHFFFAOYSA-N
XLogP0.21
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine
CID 21113925
N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 9738
N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 23416058
(propan-2-ylamino)phosphonic acid;hydrochloride
CID 174838389
N-[bis(2-methylpropyl)phosphoryl]propan-2-amine
CID 157116436
2-diaminophosphoryloxy-2,3-dimethylbutane
CID 88798989
(2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine
CID 175773702
methyl (2R)-2-(dichlorophosphinothioylamino)propanoate
CID 10868283
propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate
CID 167499810
N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468180
aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane
CID 90199354
[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid
CID 174391031

Frequently Asked Questions

What is the IUPAC name of N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine?
The IUPAC name of N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine (CID 21113908) is N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine.
What is the SMILES notation for N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine?
The canonical SMILES for N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine is CC(C)NP(N)(=S)OP(N)(N)=O.
What is the InChIKey of N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine?
The InChIKey is SNDRXMPWINAWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H14N4O2P2S/c1-3(2)7-11(6,12)9-10(4,5)8/h3H,1-2H3,(H4,4,5,8)(H3,6,7,12).
What are the key properties of N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine?
N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine has a molecular weight of 232.19 g/mol, XLogP of 0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine is sourced from PubChem (CID 21113908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).