N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide

C12H24N2O2S — CID 54973668

IUPACN-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)CC1CCCCN1
InChIInChI=1S/C12H24N2O2S/c1-4-14(9-11(2)3)17(15,16)10-12-7-5-6-8-13-12/h12-13H,2,4-10H2,1,3H3
InChIKeyIIXBHGYISKXKGW-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.36
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide

N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 54973668) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID54973668
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)CC1CCCCN1
InChIInChI=1S/C12H24N2O2S/c1-4-14(9-11(2)3)17(15,16)10-12-7-5-6-8-13-12/h12-13H,2,4-10H2,1,3H3
InChIKeyIIXBHGYISKXKGW-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide (CID 54973668) is N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide is C=C(C)CN(CC)S(=O)(=O)CC1CCCCN1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is IIXBHGYISKXKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-4-14(9-11(2)3)17(15,16)10-12-7-5-6-8-13-12/h12-13H,2,4-10H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide?
N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54973668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).