(Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine

C7H15NS — CID 144564528

IUPAC(Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine
SMILESCCS/C(C)=C(/C)NC
InChIInChI=1S/C7H15NS/c1-5-9-7(3)6(2)8-4/h8H,5H2,1-4H3/b7-6-
InChIKeyQDCFATGCHVPWPP-SREVYHEPSA-N
MW145.27 g/mol
LogP2.21
Rot. Bonds3

About (Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine

(Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine (PubChem CID 144564528) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine
PubChem CID144564528
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine
SMILESCCS/C(C)=C(/C)NC
InChIInChI=1S/C7H15NS/c1-5-9-7(3)6(2)8-4/h8H,5H2,1-4H3/b7-6-
InChIKeyQDCFATGCHVPWPP-SREVYHEPSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine?
The IUPAC name of (Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine (CID 144564528) is (Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine.
What is the SMILES notation for (Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine?
The canonical SMILES for (Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine is CCS/C(C)=C(/C)NC.
What is the InChIKey of (Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine?
The InChIKey is QDCFATGCHVPWPP-SREVYHEPSA-N. The full InChI is InChI=1S/C7H15NS/c1-5-9-7(3)6(2)8-4/h8H,5H2,1-4H3/b7-6-.
What are the key properties of (Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine?
(Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine has a molecular weight of 145.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine is sourced from PubChem (CID 144564528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).