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

C15H26NPS2 — CID 19024931

IUPAC2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCCP(C)(C)=S)SCc1ccccc1
InChIInChI=1S/C15H26NPS2/c1-15(2,13-16-10-11-17(3,4)18)19-12-14-8-6-5-7-9-14/h5-9,16H,10-13H2,1-4H3
InChIKeyJEOOWIYXQDNLMQ-UHFFFAOYSA-N
MW315.49 g/mol
LogP4.03
Rot. Bonds8

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

2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine (PubChem CID 19024931) has the molecular formula C15H26NPS2 and a molecular weight of 315.49 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine
PubChem CID19024931
Molecular FormulaC15H26NPS2
Molecular Weight315.49 g/mol
Exact Mass315.12
IUPAC Name2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCCP(C)(C)=S)SCc1ccccc1
InChIInChI=1S/C15H26NPS2/c1-15(2,13-16-10-11-17(3,4)18)19-12-14-8-6-5-7-9-14/h5-9,16H,10-13H2,1-4H3
InChIKeyJEOOWIYXQDNLMQ-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-benzylsulfanyl-2-methylpropyl)carbamate
CID 67723796
2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 19024930
2-benzylsulfanylpropan-2-ol;hydrobromide
CID 138504401
benzyl-ditert-butyl-sulfanylidene-λ5-phosphane
CID 175377424
2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine
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CID 141462781
N,N'-bis(2-methyl-2-tritylsulfanylpropyl)ethane-1,2-diamine
CID 21192173
2,2-dimethyl-3-(2-phenylethylamino)propanamide
CID 103617251
trizinc;(benzyldisulfanyl)methylbenzene;dithiophosphate
CID 175857354
2-benzylsulfanyl-2-phenylpropanenitrile
CID 134975922
2-N,2-N,2-trimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 28651842
3-benzylsulfanyl-2-formamido-3-methylbutanoic acid
CID 10084337

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine (CID 19024931) is 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine is CC(C)(CNCCP(C)(C)=S)SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine?
The InChIKey is JEOOWIYXQDNLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NPS2/c1-15(2,13-16-10-11-17(3,4)18)19-12-14-8-6-5-7-9-14/h5-9,16H,10-13H2,1-4H3.
What are the key properties of 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine?
2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine has a molecular weight of 315.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 19024931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).