2-ethylsulfanyl-N-methylethanamine

C5H13NS — CID 18683899

IUPAC2-ethylsulfanyl-N-methylethanamine
SMILESCCSCCNC
InChIInChI=1S/C5H13NS/c1-3-7-5-4-6-2/h6H,3-5H2,1-2H3
InChIKeyNVDUCCRVKSUGCB-UHFFFAOYSA-N
MW119.23 g/mol
LogP0.96
Rot. Bonds4

About 2-ethylsulfanyl-N-methylethanamine

2-ethylsulfanyl-N-methylethanamine (PubChem CID 18683899) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methylethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methylethanamine
PubChem CID18683899
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC Name2-ethylsulfanyl-N-methylethanamine
SMILESCCSCCNC
InChIInChI=1S/C5H13NS/c1-3-7-5-4-6-2/h6H,3-5H2,1-2H3
InChIKeyNVDUCCRVKSUGCB-UHFFFAOYSA-N
XLogP0.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanamine, 2-(ethylthio)-
CID 148011
N-Methyl-2-(methylthio)ethanamine
CID 18670831
2-(Ethylthio)ethylamine hydrochloride
CID 3016870
Methyl[2-(methylsulfanyl)ethyl]amine hydrochloride
CID 18670830
Methyl[2-(methylsulfanyl)propyl]amine
CID 62579559
3,9-Dithia-6-azaundecane
CID 11830297
Bis-(2-methylthioethyl)-amine
CID 15410127
2-((2-(Ethylthio)ethyl)thio)amine
CID 20521802
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine
CID 84654634
2-(fluoromethylsulfanyl)-N-methylethanamine
CID 122581353
2-[fluoro(dimethyl)-lambda4-sulfanyl]-N-methylethanamine
CID 142057524
CID 19069271
CID 19069271

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methylethanamine?
The IUPAC name of 2-ethylsulfanyl-N-methylethanamine (CID 18683899) is 2-ethylsulfanyl-N-methylethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-methylethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-methylethanamine is CCSCCNC.
What is the InChIKey of 2-ethylsulfanyl-N-methylethanamine?
The InChIKey is NVDUCCRVKSUGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS/c1-3-7-5-4-6-2/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-methylethanamine?
2-ethylsulfanyl-N-methylethanamine has a molecular weight of 119.23 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methylethanamine is sourced from PubChem (CID 18683899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).