ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine

C8H19NS — CID 143182248

IUPACethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine
SMILESCC.CCS/C(C)=C\NC
InChIInChI=1S/C6H13NS.C2H6/c1-4-8-6(2)5-7-3;1-2/h5,7H,4H2,1-3H3;1-2H3/b6-5-;
InChIKeyZJFBAMRTWAEVNY-YSMBQZINSA-N
MW161.31 g/mol
LogP2.85
Rot. Bonds3

About ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine

ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine (PubChem CID 143182248) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine
PubChem CID143182248
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Nameethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine
SMILESCC.CCS/C(C)=C\NC
InChIInChI=1S/C6H13NS.C2H6/c1-4-8-6(2)5-7-3;1-2/h5,7H,4H2,1-3H3;1-2H3/b6-5-;
InChIKeyZJFBAMRTWAEVNY-YSMBQZINSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine?
The IUPAC name of ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine (CID 143182248) is ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine is CC.CCS/C(C)=C\NC.
What is the InChIKey of ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine?
The InChIKey is ZJFBAMRTWAEVNY-YSMBQZINSA-N. The full InChI is InChI=1S/C6H13NS.C2H6/c1-4-8-6(2)5-7-3;1-2/h5,7H,4H2,1-3H3;1-2H3/b6-5-;.
What are the key properties of ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine?
ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine is sourced from PubChem (CID 143182248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).