2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

C18H32NOPS2 — CID 19024930

IUPAC2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(CCP(C)(C)=S)CC(C)(C)SCc1ccccc1
InChIInChI=1S/C18H32NOPS2/c1-18(2,23-15-17-9-7-6-8-10-17)16-19(11-13-20-3)12-14-21(4,5)22/h6-10H,11-16H2,1-5H3
InChIKeyGRASSUJMGMUJRM-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.39
Rot. Bonds11

About 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 19024930) has the molecular formula C18H32NOPS2 and a molecular weight of 373.57 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID19024930
Molecular FormulaC18H32NOPS2
Molecular Weight373.57 g/mol
Exact Mass373.17
IUPAC Name2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(CCP(C)(C)=S)CC(C)(C)SCc1ccccc1
InChIInChI=1S/C18H32NOPS2/c1-18(2,23-15-17-9-7-6-8-10-17)16-19(11-13-20-3)12-14-21(4,5)22/h6-10H,11-16H2,1-5H3
InChIKeyGRASSUJMGMUJRM-UHFFFAOYSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine
CID 19024931
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
tert-butyl-(2-methoxyethyl)-methylidene-(2-phenylethyl)-λ5-phosphane
CID 142271188
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine
CID 57298198
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride
CID 173426677
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine
CID 103339332
2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine
CID 126587452
N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine
CID 86616987
N-benzyl-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 47013131
1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 42836990
N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane
CID 157145048

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 19024930) is 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCN(CCP(C)(C)=S)CC(C)(C)SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is GRASSUJMGMUJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32NOPS2/c1-18(2,23-15-17-9-7-6-8-10-17)16-19(11-13-20-3)12-14-21(4,5)22/h6-10H,11-16H2,1-5H3.
What are the key properties of 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 373.57 g/mol, XLogP of 4.39, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 19024930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).