(Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine

C9H17NS — CID 130441298

IUPAC(Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine
SMILESC=C(CC)S/C(CC)=C(/C)N
InChIInChI=1S/C9H17NS/c1-5-7(3)11-9(6-2)8(4)10/h3,5-6,10H2,1-2,4H3/b9-8-
InChIKeyWNIHOXJCRASGHM-HJWRWDBZSA-N
MW171.31 g/mol
LogP3.24
Rot. Bonds4

About (Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine

(Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine (PubChem CID 130441298) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine
PubChem CID130441298
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine
SMILESC=C(CC)S/C(CC)=C(/C)N
InChIInChI=1S/C9H17NS/c1-5-7(3)11-9(6-2)8(4)10/h3,5-6,10H2,1-2,4H3/b9-8-
InChIKeyWNIHOXJCRASGHM-HJWRWDBZSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine?
The IUPAC name of (Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine (CID 130441298) is (Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine.
What is the SMILES notation for (Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine?
The canonical SMILES for (Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine is C=C(CC)S/C(CC)=C(/C)N.
What is the InChIKey of (Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine?
The InChIKey is WNIHOXJCRASGHM-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H17NS/c1-5-7(3)11-9(6-2)8(4)10/h3,5-6,10H2,1-2,4H3/b9-8-.
What are the key properties of (Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine?
(Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine has a molecular weight of 171.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-but-1-en-2-ylsulfanylpent-2-en-2-amine is sourced from PubChem (CID 130441298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).