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

C10H19NS2 — CID 101365412

IUPAC2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNCCSCC=C
InChIInChI=1S/C10H19NS2/c1-3-7-12-9-5-11-6-10-13-8-4-2/h3-4,11H,1-2,5-10H2
InChIKeyBIAIGLPFDQGTLD-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.41
Rot. Bonds10

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

2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine (PubChem CID 101365412) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
PubChem CID101365412
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Name2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNCCSCC=C
InChIInChI=1S/C10H19NS2/c1-3-7-12-9-5-11-6-10-13-8-4-2/h3-4,11H,1-2,5-10H2
InChIKeyBIAIGLPFDQGTLD-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 52.41
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

Tetrahydro-1,4-thiazepine
CID 58044730
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
N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 62576296
(6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine
CID 68602709
3,4,5,8-tetrahydro-2H-1,4-thiazocine
CID 68602710
but-2-ene;N-methylethanamine;methylsulfanylethane
CID 91153432
1-methylsulfanylbutane;N-prop-2-enylpropan-1-amine
CID 141979838
2-[(1Z)-buta-1,3-dienyl]sulfanyl-N-methylethanamine;ethane
CID 142050363
N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine
CID 142721896
2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene
CID 158638277

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The IUPAC name of 2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine (CID 101365412) is 2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The canonical SMILES for 2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine is C=CCSCCNCCSCC=C.
What is the InChIKey of 2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The InChIKey is BIAIGLPFDQGTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-3-7-12-9-5-11-6-10-13-8-4-2/h3-4,11H,1-2,5-10H2.
What are the key properties of 2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine?
2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine has a molecular weight of 217.40 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine is sourced from PubChem (CID 101365412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).