N-[amino(thionitroso)phosphoryl]propan-2-amine

C3H10N3OPS — CID 19814849

IUPACN-[amino(thionitroso)phosphoryl]propan-2-amine
SMILESCC(C)NP(N)(=O)N=S
InChIInChI=1S/C3H10N3OPS/c1-3(2)5-8(4,7)6-9/h3H,1-2H3,(H3,4,5,7)
InChIKeyHFGKDTYOIRMCQW-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.78
Rot. Bonds3

About N-[amino(thionitroso)phosphoryl]propan-2-amine

N-[amino(thionitroso)phosphoryl]propan-2-amine (PubChem CID 19814849) has the molecular formula C3H10N3OPS and a molecular weight of 167.17 g/mol. Its IUPAC name is N-[amino(thionitroso)phosphoryl]propan-2-amine.

Molecular Properties

Compound NameN-[amino(thionitroso)phosphoryl]propan-2-amine
PubChem CID19814849
Molecular FormulaC3H10N3OPS
Molecular Weight167.17 g/mol
Exact Mass167.03
IUPAC NameN-[amino(thionitroso)phosphoryl]propan-2-amine
SMILESCC(C)NP(N)(=O)N=S
InChIInChI=1S/C3H10N3OPS/c1-3(2)5-8(4,7)6-9/h3H,1-2H3,(H3,4,5,7)
InChIKeyHFGKDTYOIRMCQW-UHFFFAOYSA-N
XLogP0.78
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[amino(thionitroso)phosphoryl]propan-2-amine?
The IUPAC name of N-[amino(thionitroso)phosphoryl]propan-2-amine (CID 19814849) is N-[amino(thionitroso)phosphoryl]propan-2-amine.
What is the SMILES notation for N-[amino(thionitroso)phosphoryl]propan-2-amine?
The canonical SMILES for N-[amino(thionitroso)phosphoryl]propan-2-amine is CC(C)NP(N)(=O)N=S.
What is the InChIKey of N-[amino(thionitroso)phosphoryl]propan-2-amine?
The InChIKey is HFGKDTYOIRMCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N3OPS/c1-3(2)5-8(4,7)6-9/h3H,1-2H3,(H3,4,5,7).
What are the key properties of N-[amino(thionitroso)phosphoryl]propan-2-amine?
N-[amino(thionitroso)phosphoryl]propan-2-amine has a molecular weight of 167.17 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(thionitroso)phosphoryl]propan-2-amine is sourced from PubChem (CID 19814849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).