N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine

C5H12NO2PS — CID 541873

IUPACN,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine
SMILESCN(C)P1(=S)OCCCO1
InChIInChI=1S/C5H12NO2PS/c1-6(2)9(10)7-4-3-5-8-9/h3-5H2,1-2H3
InChIKeyUZEYZTARKZFSTM-UHFFFAOYSA-N
MW181.20 g/mol
LogP1.21
Rot. Bonds1

About N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine

N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine (PubChem CID 541873) has the molecular formula C5H12NO2PS and a molecular weight of 181.20 g/mol. Its IUPAC name is N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine
PubChem CID541873
Molecular FormulaC5H12NO2PS
Molecular Weight181.20 g/mol
Exact Mass181.03
IUPAC NameN,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine
SMILESCN(C)P1(=S)OCCCO1
InChIInChI=1S/C5H12NO2PS/c1-6(2)9(10)7-4-3-5-8-9/h3-5H2,1-2H3
InChIKeyUZEYZTARKZFSTM-UHFFFAOYSA-N
XLogP1.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine?
The IUPAC name of N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine (CID 541873) is N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine.
What is the SMILES notation for N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine?
The canonical SMILES for N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine is CN(C)P1(=S)OCCCO1.
What is the InChIKey of N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine?
The InChIKey is UZEYZTARKZFSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2PS/c1-6(2)9(10)7-4-3-5-8-9/h3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine?
N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine has a molecular weight of 181.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine is sourced from PubChem (CID 541873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).