2-[(Z)-1-methylsulfanylprop-1-enyl]azepane

C10H19NS — CID 156530725

IUPAC2-[(Z)-1-methylsulfanylprop-1-enyl]azepane
SMILESC/C=C(\SC)C1CCCCCN1
InChIInChI=1S/C10H19NS/c1-3-10(12-2)9-7-5-4-6-8-11-9/h3,9,11H,4-8H2,1-2H3/b10-3-
InChIKeyLTUNEONVXCUIHW-KMKOMSMNSA-N
MW185.34 g/mol
LogP2.79
Rot. Bonds2

About 2-[(Z)-1-methylsulfanylprop-1-enyl]azepane

2-[(Z)-1-methylsulfanylprop-1-enyl]azepane (PubChem CID 156530725) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-[(Z)-1-methylsulfanylprop-1-enyl]azepane.

Molecular Properties

Compound Name2-[(Z)-1-methylsulfanylprop-1-enyl]azepane
PubChem CID156530725
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-[(Z)-1-methylsulfanylprop-1-enyl]azepane
SMILESC/C=C(\SC)C1CCCCCN1
InChIInChI=1S/C10H19NS/c1-3-10(12-2)9-7-5-4-6-8-11-9/h3,9,11H,4-8H2,1-2H3/b10-3-
InChIKeyLTUNEONVXCUIHW-KMKOMSMNSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-methylsulfanylprop-1-enyl]azepane?
The IUPAC name of 2-[(Z)-1-methylsulfanylprop-1-enyl]azepane (CID 156530725) is 2-[(Z)-1-methylsulfanylprop-1-enyl]azepane.
What is the SMILES notation for 2-[(Z)-1-methylsulfanylprop-1-enyl]azepane?
The canonical SMILES for 2-[(Z)-1-methylsulfanylprop-1-enyl]azepane is C/C=C(\SC)C1CCCCCN1.
What is the InChIKey of 2-[(Z)-1-methylsulfanylprop-1-enyl]azepane?
The InChIKey is LTUNEONVXCUIHW-KMKOMSMNSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-10(12-2)9-7-5-4-6-8-11-9/h3,9,11H,4-8H2,1-2H3/b10-3-.
What are the key properties of 2-[(Z)-1-methylsulfanylprop-1-enyl]azepane?
2-[(Z)-1-methylsulfanylprop-1-enyl]azepane has a molecular weight of 185.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-methylsulfanylprop-1-enyl]azepane is sourced from PubChem (CID 156530725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).