3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine

C9H17NS — CID 123829902

IUPAC3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine
SMILESC=CSC(=C)C(CC)CNC
InChIInChI=1S/C9H17NS/c1-5-9(7-10-4)8(3)11-6-2/h6,9-10H,2-3,5,7H2,1,4H3
InChIKeyIQFNGUPWKIZJDA-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.62
Rot. Bonds6

About 3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine

3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine (PubChem CID 123829902) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine
PubChem CID123829902
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine
SMILESC=CSC(=C)C(CC)CNC
InChIInChI=1S/C9H17NS/c1-5-9(7-10-4)8(3)11-6-2/h6,9-10H,2-3,5,7H2,1,4H3
InChIKeyIQFNGUPWKIZJDA-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57261495
N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
CID 57284310
N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine
CID 89068660
(Z)-5-(ethylamino)-4-methylpent-1-ene-1-thiol
CID 89583688
2-ethyl-N-methyl-3-methylsulfanylbut-3-en-1-amine
CID 124011774
CID 129152422
CID 129152422
2-[Dimethyl(pent-1-en-2-yl)-lambda4-sulfanyl]-3-methylbutan-1-amine
CID 134333006
3-but-1-enylsulfanyl-N-methylbut-3-en-1-amine
CID 142939688
4-ethenylsulfanyl-N-methylpent-4-en-1-amine
CID 143923324
(Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine
CID 146226420

Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine?
The IUPAC name of 3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine (CID 123829902) is 3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine.
What is the SMILES notation for 3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine?
The canonical SMILES for 3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine is C=CSC(=C)C(CC)CNC.
What is the InChIKey of 3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine?
The InChIKey is IQFNGUPWKIZJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-5-9(7-10-4)8(3)11-6-2/h6,9-10H,2-3,5,7H2,1,4H3.
What are the key properties of 3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine?
3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine has a molecular weight of 171.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine is sourced from PubChem (CID 123829902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).