2-dimethylphosphinothioyl-N-methylethanamine

C5H14NPS — CID 86052789

IUPAC2-dimethylphosphinothioyl-N-methylethanamine
SMILESCNCCP(C)(C)=S
InChIInChI=1S/C5H14NPS/c1-6-4-5-7(2,3)8/h6H,4-5H2,1-3H3
InChIKeySJHDDXULSGFNRQ-UHFFFAOYSA-N
MW151.22 g/mol
LogP0.94
Rot. Bonds3

About 2-dimethylphosphinothioyl-N-methylethanamine

2-dimethylphosphinothioyl-N-methylethanamine (PubChem CID 86052789) has the molecular formula C5H14NPS and a molecular weight of 151.22 g/mol. Its IUPAC name is 2-dimethylphosphinothioyl-N-methylethanamine.

Molecular Properties

Compound Name2-dimethylphosphinothioyl-N-methylethanamine
PubChem CID86052789
Molecular FormulaC5H14NPS
Molecular Weight151.22 g/mol
Exact Mass151.06
IUPAC Name2-dimethylphosphinothioyl-N-methylethanamine
SMILESCNCCP(C)(C)=S
InChIInChI=1S/C5H14NPS/c1-6-4-5-7(2,3)8/h6H,4-5H2,1-3H3
InChIKeySJHDDXULSGFNRQ-UHFFFAOYSA-N
XLogP0.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphanyl-N-methylethanamine
CID 86052792
N-ethylethanamine;trimethylphosphane
CID 20493251
2-dimethylphosphoryl-N-methylethanamine
CID 21520362
N-ethylethanamine;triethylphosphane
CID 23462600
N-(methylphosphanylmethyl)ethanamine
CID 59994731
N-ethyl-1-phosphanylethanamine
CID 90730518
N-ethyl-2-phosphanylethanamine
CID 91132910
Methyl-[1-(methylamino)propan-2-yl]-methylidenephosphanium
CID 91507950
Ethylaminomethyl(trimethyl)phosphanium
CID 117745705
(1R)-N-ethyl-1-phosphanylethanamine
CID 121458893
2-[ethyl(methyl)phosphanyl]-N-methylpropan-1-amine
CID 123857259
1-ethylphosphanyl-N-methylethanamine
CID 124017780

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphinothioyl-N-methylethanamine?
The IUPAC name of 2-dimethylphosphinothioyl-N-methylethanamine (CID 86052789) is 2-dimethylphosphinothioyl-N-methylethanamine.
What is the SMILES notation for 2-dimethylphosphinothioyl-N-methylethanamine?
The canonical SMILES for 2-dimethylphosphinothioyl-N-methylethanamine is CNCCP(C)(C)=S.
What is the InChIKey of 2-dimethylphosphinothioyl-N-methylethanamine?
The InChIKey is SJHDDXULSGFNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NPS/c1-6-4-5-7(2,3)8/h6H,4-5H2,1-3H3.
What are the key properties of 2-dimethylphosphinothioyl-N-methylethanamine?
2-dimethylphosphinothioyl-N-methylethanamine has a molecular weight of 151.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphinothioyl-N-methylethanamine is sourced from PubChem (CID 86052789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).