ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane

C9H19NS — CID 170209892

IUPACethenyl-dimethyl-piperidin-1-yl-λ4-sulfane
SMILESC=CS(C)(C)N1CCCCC1
InChIInChI=1S/C9H19NS/c1-4-11(2,3)10-8-6-5-7-9-10/h4H,1,5-9H2,2-3H3
InChIKeyGDWLQMOLFXYSBQ-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.60
Rot. Bonds2

About ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane

ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane (PubChem CID 170209892) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane.

Molecular Properties

Compound Nameethenyl-dimethyl-piperidin-1-yl-λ4-sulfane
PubChem CID170209892
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Nameethenyl-dimethyl-piperidin-1-yl-λ4-sulfane
SMILESC=CS(C)(C)N1CCCCC1
InChIInChI=1S/C9H19NS/c1-4-11(2,3)10-8-6-5-7-9-10/h4H,1,5-9H2,2-3H3
InChIKeyGDWLQMOLFXYSBQ-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane?
The IUPAC name of ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane (CID 170209892) is ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane.
What is the SMILES notation for ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane?
The canonical SMILES for ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane is C=CS(C)(C)N1CCCCC1.
What is the InChIKey of ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane?
The InChIKey is GDWLQMOLFXYSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-11(2,3)10-8-6-5-7-9-10/h4H,1,5-9H2,2-3H3.
What are the key properties of ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane?
ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane has a molecular weight of 173.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-dimethyl-piperidin-1-yl-λ4-sulfane is sourced from PubChem (CID 170209892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).