(Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine

C9H19NS — CID 176934484

IUPAC(Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine
SMILESCCCS/C(=C\NCC)CC
InChIInChI=1S/C9H19NS/c1-4-7-11-9(5-2)8-10-6-3/h8,10H,4-7H2,1-3H3/b9-8-
InChIKeyRIBBDQCMDJQARM-HJWRWDBZSA-N
MW173.32 g/mol
LogP2.99
Rot. Bonds6

About (Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine

(Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine (PubChem CID 176934484) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine
PubChem CID176934484
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine
SMILESCCCS/C(=C\NCC)CC
InChIInChI=1S/C9H19NS/c1-4-7-11-9(5-2)8-10-6-3/h8,10H,4-7H2,1-3H3/b9-8-
InChIKeyRIBBDQCMDJQARM-HJWRWDBZSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine?
The IUPAC name of (Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine (CID 176934484) is (Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine is CCCS/C(=C\NCC)CC.
What is the InChIKey of (Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine?
The InChIKey is RIBBDQCMDJQARM-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-7-11-9(5-2)8-10-6-3/h8,10H,4-7H2,1-3H3/b9-8-.
What are the key properties of (Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine?
(Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-propylsulfanylbut-1-en-1-amine is sourced from PubChem (CID 176934484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).