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

C9H19NS2 — CID 104668793

IUPAC2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNCCSCC
InChIInChI=1S/C9H19NS2/c1-3-7-12-9-6-10-5-8-11-4-2/h3,10H,1,4-9H2,2H3
InChIKeyJWNNVQNFVJQDNL-UHFFFAOYSA-N
MW205.39 g/mol
LogP2.25
Rot. Bonds9

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

2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine (PubChem CID 104668793) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
PubChem CID104668793
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNCCSCC
InChIInChI=1S/C9H19NS2/c1-3-7-12-9-6-10-5-8-11-4-2/h3,10H,1,4-9H2,2H3
InChIKeyJWNNVQNFVJQDNL-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 52.25
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

3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
CID 131107230
2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427700
chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576
2,2-dimethyl-4-(2-prop-2-enylsulfanylethylamino)butanenitrile
CID 106427918
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
3-(2-prop-2-enylsulfanylethylamino)propanoic acid
CID 106427665
N-[(4-ethylphenyl)methyl]-2-prop-2-enylsulfanylethanamine;hydrochloride
CID 115615239
2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide
CID 106427805
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 106425300
N-(2-ethylsulfanylethyl)hexan-1-amine
CID 62578167
methyl 2,2-dimethyl-3-(2-prop-2-enylsulfanylethylamino)propanoate
CID 106427471

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The IUPAC name of 2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine (CID 104668793) is 2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine is C=CCSCCNCCSCC.
What is the InChIKey of 2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The InChIKey is JWNNVQNFVJQDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-3-7-12-9-6-10-5-8-11-4-2/h3,10H,1,4-9H2,2H3.
What are the key properties of 2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine has a molecular weight of 205.39 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine is sourced from PubChem (CID 104668793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).