N-diaminophosphinothioyl-N-methylnaphthalen-1-amine

C11H14N3PS — CID 56607870

IUPACN-diaminophosphinothioyl-N-methylnaphthalen-1-amine
SMILESCN(c1cccc2ccccc12)P(N)(N)=S
InChIInChI=1S/C11H14N3PS/c1-14(15(12,13)16)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H4,12,13,16)
InChIKeyFDVDOFGBACLTNF-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.42
Rot. Bonds2

About N-diaminophosphinothioyl-N-methylnaphthalen-1-amine

N-diaminophosphinothioyl-N-methylnaphthalen-1-amine (PubChem CID 56607870) has the molecular formula C11H14N3PS and a molecular weight of 251.30 g/mol. Its IUPAC name is N-diaminophosphinothioyl-N-methylnaphthalen-1-amine.

Molecular Properties

Compound NameN-diaminophosphinothioyl-N-methylnaphthalen-1-amine
PubChem CID56607870
Molecular FormulaC11H14N3PS
Molecular Weight251.30 g/mol
Exact Mass251.06
IUPAC NameN-diaminophosphinothioyl-N-methylnaphthalen-1-amine
SMILESCN(c1cccc2ccccc12)P(N)(N)=S
InChIInChI=1S/C11H14N3PS/c1-14(15(12,13)16)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H4,12,13,16)
InChIKeyFDVDOFGBACLTNF-UHFFFAOYSA-N
XLogP2.42
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-diaminophosphinothioyl-N-methylnaphthalen-1-amine?
The IUPAC name of N-diaminophosphinothioyl-N-methylnaphthalen-1-amine (CID 56607870) is N-diaminophosphinothioyl-N-methylnaphthalen-1-amine.
What is the SMILES notation for N-diaminophosphinothioyl-N-methylnaphthalen-1-amine?
The canonical SMILES for N-diaminophosphinothioyl-N-methylnaphthalen-1-amine is CN(c1cccc2ccccc12)P(N)(N)=S.
What is the InChIKey of N-diaminophosphinothioyl-N-methylnaphthalen-1-amine?
The InChIKey is FDVDOFGBACLTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N3PS/c1-14(15(12,13)16)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H4,12,13,16).
What are the key properties of N-diaminophosphinothioyl-N-methylnaphthalen-1-amine?
N-diaminophosphinothioyl-N-methylnaphthalen-1-amine has a molecular weight of 251.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphinothioyl-N-methylnaphthalen-1-amine is sourced from PubChem (CID 56607870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).