1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide

C12H22N2O2S — CID 54973677

IUPAC1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C12H22N2O2S/c1-3-8-14(9-4-2)17(15,16)11-12-6-5-7-13-10-12/h3-4,12-13H,1-2,5-11H2
InChIKeyAWJIFTWLVHULPO-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.99
Rot. Bonds7

About 1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide

1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide (PubChem CID 54973677) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide
PubChem CID54973677
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C12H22N2O2S/c1-3-8-14(9-4-2)17(15,16)11-12-6-5-7-13-10-12/h3-4,12-13H,1-2,5-11H2
InChIKeyAWJIFTWLVHULPO-UHFFFAOYSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.99
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 1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide?
The IUPAC name of 1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide (CID 54973677) is 1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide.
What is the SMILES notation for 1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide?
The canonical SMILES for 1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide is C=CCN(CC=C)S(=O)(=O)CC1CCCNC1.
What is the InChIKey of 1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide?
The InChIKey is AWJIFTWLVHULPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-8-14(9-4-2)17(15,16)11-12-6-5-7-13-10-12/h3-4,12-13H,1-2,5-11H2.
What are the key properties of 1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide?
1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide has a molecular weight of 258.39 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-N,N-bis(prop-2-enyl)methanesulfonamide is sourced from PubChem (CID 54973677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).