N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine

C4H10NOPS — CID 23415750

IUPACN,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine
SMILESCN(C)P1(=O)CSC1
InChIInChI=1S/C4H10NOPS/c1-5(2)7(6)3-8-4-7/h3-4H2,1-2H3
InChIKeyGXFXMWXSOUAQEC-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.49
Rot. Bonds1

About N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine

N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine (PubChem CID 23415750) has the molecular formula C4H10NOPS and a molecular weight of 151.17 g/mol. Its IUPAC name is N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine
PubChem CID23415750
Molecular FormulaC4H10NOPS
Molecular Weight151.17 g/mol
Exact Mass151.02
IUPAC NameN,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine
SMILESCN(C)P1(=O)CSC1
InChIInChI=1S/C4H10NOPS/c1-5(2)7(6)3-8-4-7/h3-4H2,1-2H3
InChIKeyGXFXMWXSOUAQEC-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
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,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine?
The IUPAC name of N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine (CID 23415750) is N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine.
What is the SMILES notation for N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine?
The canonical SMILES for N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine is CN(C)P1(=O)CSC1.
What is the InChIKey of N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine?
The InChIKey is GXFXMWXSOUAQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NOPS/c1-5(2)7(6)3-8-4-7/h3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine?
N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine has a molecular weight of 151.17 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxo-1,3λ5-thiaphosphetan-3-amine is sourced from PubChem (CID 23415750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).