2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine

C8H17NS2 — CID 106427527

IUPAC2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNCCSC
InChIInChI=1S/C8H17NS2/c1-3-6-11-8-5-9-4-7-10-2/h3,9H,1,4-8H2,2H3
InChIKeyUJHOSMKRDHBFPX-UHFFFAOYSA-N
MW191.36 g/mol
LogP1.86
Rot. Bonds8

About 2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine

2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine (PubChem CID 106427527) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
PubChem CID106427527
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Name2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNCCSC
InChIInChI=1S/C8H17NS2/c1-3-6-11-8-5-9-4-7-10-2/h3,9H,1,4-8H2,2H3
InChIKeyUJHOSMKRDHBFPX-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427472
3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427514
2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106428159
2-methylsulfanyl-N-prop-2-enylprop-2-en-1-amine
CID 11819175
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
N-(2-ethylsulfanylethyl)-3-methylbut-2-en-1-amine
CID 60061027
N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 62576296
N-ethyl-3-methylsulfanylprop-2-en-1-amine
CID 91016985
but-2-ene;N-methylethanamine;methylsulfanylethane
CID 91153432
3-ethylsulfanyl-N-methylprop-2-en-1-amine
CID 123873113
N-(2-propylsulfanylethyl)prop-1-en-1-amine
CID 140411979
1-methylsulfanylbutane;N-prop-2-enylpropan-1-amine
CID 141979838

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The IUPAC name of 2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine (CID 106427527) is 2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The canonical SMILES for 2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine is C=CCSCCNCCSC.
What is the InChIKey of 2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The InChIKey is UJHOSMKRDHBFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-3-6-11-8-5-9-4-7-10-2/h3,9H,1,4-8H2,2H3.
What are the key properties of 2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine has a molecular weight of 191.36 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine is sourced from PubChem (CID 106427527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).