dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane

C10H21NS — CID 170210016

IUPACdimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane
SMILESC=CCS(C)(C)N1CCCCC1
InChIInChI=1S/C10H21NS/c1-4-10-12(2,3)11-8-6-5-7-9-11/h4H,1,5-10H2,2-3H3
InChIKeyBUPYBQTUPPGUAZ-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.64
Rot. Bonds3

About dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane

dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane (PubChem CID 170210016) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane
PubChem CID170210016
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Namedimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane
SMILESC=CCS(C)(C)N1CCCCC1
InChIInChI=1S/C10H21NS/c1-4-10-12(2,3)11-8-6-5-7-9-11/h4H,1,5-10H2,2-3H3
InChIKeyBUPYBQTUPPGUAZ-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane?
The IUPAC name of dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane (CID 170210016) is dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane.
What is the SMILES notation for dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane?
The canonical SMILES for dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane is C=CCS(C)(C)N1CCCCC1.
What is the InChIKey of dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane?
The InChIKey is BUPYBQTUPPGUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-10-12(2,3)11-8-6-5-7-9-11/h4H,1,5-10H2,2-3H3.
What are the key properties of dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane?
dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane has a molecular weight of 187.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-piperidin-1-yl-prop-2-enyl-λ4-sulfane is sourced from PubChem (CID 170210016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).