methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane

C14H28N2S — CID 170209966

IUPACmethyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane
SMILESC=CCS(C)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H28N2S/c1-3-14-17(2,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3H,1,4-14H2,2H3
InChIKeyQCDQMEZXSRHOKM-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.41
Rot. Bonds4

About methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane

methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane (PubChem CID 170209966) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane.

Molecular Properties

Compound Namemethyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane
PubChem CID170209966
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Namemethyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane
SMILESC=CCS(C)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H28N2S/c1-3-14-17(2,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3H,1,4-14H2,2H3
InChIKeyQCDQMEZXSRHOKM-UHFFFAOYSA-N
XLogP3.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane?
The IUPAC name of methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane (CID 170209966) is methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane.
What is the SMILES notation for methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane?
The canonical SMILES for methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane is C=CCS(C)(N1CCCCC1)N1CCCCC1.
What is the InChIKey of methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane?
The InChIKey is QCDQMEZXSRHOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-14-17(2,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3H,1,4-14H2,2H3.
What are the key properties of methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane?
methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane has a molecular weight of 256.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-di(piperidin-1-yl)-prop-2-enyl-λ4-sulfane is sourced from PubChem (CID 170209966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).