(Z)-7-ethenylsulfanylhept-6-en-3-amine

C9H17NS — CID 143415182

IUPAC(Z)-7-ethenylsulfanylhept-6-en-3-amine
SMILESC=CS/C=C\CCC(N)CC
InChIInChI=1S/C9H17NS/c1-3-9(10)7-5-6-8-11-4-2/h4,6,8-9H,2-3,5,7,10H2,1H3/b8-6-
InChIKeyCVKFBBDJIZHXCE-VURMDHGXSA-N
MW171.31 g/mol
LogP2.89
Rot. Bonds6

About (Z)-7-ethenylsulfanylhept-6-en-3-amine

(Z)-7-ethenylsulfanylhept-6-en-3-amine (PubChem CID 143415182) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (Z)-7-ethenylsulfanylhept-6-en-3-amine.

Molecular Properties

Compound Name(Z)-7-ethenylsulfanylhept-6-en-3-amine
PubChem CID143415182
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(Z)-7-ethenylsulfanylhept-6-en-3-amine
SMILESC=CS/C=C\CCC(N)CC
InChIInChI=1S/C9H17NS/c1-3-9(10)7-5-6-8-11-4-2/h4,6,8-9H,2-3,5,7,10H2,1H3/b8-6-
InChIKeyCVKFBBDJIZHXCE-VURMDHGXSA-N
XLogP2.89
TPSA26.02 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-ethenylsulfanylhept-6-en-3-amine?
The IUPAC name of (Z)-7-ethenylsulfanylhept-6-en-3-amine (CID 143415182) is (Z)-7-ethenylsulfanylhept-6-en-3-amine.
What is the SMILES notation for (Z)-7-ethenylsulfanylhept-6-en-3-amine?
The canonical SMILES for (Z)-7-ethenylsulfanylhept-6-en-3-amine is C=CS/C=C\CCC(N)CC.
What is the InChIKey of (Z)-7-ethenylsulfanylhept-6-en-3-amine?
The InChIKey is CVKFBBDJIZHXCE-VURMDHGXSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-9(10)7-5-6-8-11-4-2/h4,6,8-9H,2-3,5,7,10H2,1H3/b8-6-.
What are the key properties of (Z)-7-ethenylsulfanylhept-6-en-3-amine?
(Z)-7-ethenylsulfanylhept-6-en-3-amine has a molecular weight of 171.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-ethenylsulfanylhept-6-en-3-amine is sourced from PubChem (CID 143415182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).