N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide

C12H22N2O3S — CID 95150282

IUPACN-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
SMILESCC/C=C(/C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C12H22N2O3S/c1-4-6-10(2)12(15)14-8-5-7-11(9-14)13-18(3,16)17/h6,11,13H,4-5,7-9H2,1-3H3/b10-6-/t11-/m1/s1
InChIKeyCANTVLHFFXFHEZ-SDKXAQGSSA-N
MW274.39 g/mol
LogP0.88
Rot. Bonds4

About N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide

N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide (PubChem CID 95150282) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
PubChem CID95150282
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
SMILESCC/C=C(/C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C12H22N2O3S/c1-4-6-10(2)12(15)14-8-5-7-11(9-14)13-18(3,16)17/h6,11,13H,4-5,7-9H2,1-3H3/b10-6-/t11-/m1/s1
InChIKeyCANTVLHFFXFHEZ-SDKXAQGSSA-N
XLogP0.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide (CID 95150282) is N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide is CC/C=C(/C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is CANTVLHFFXFHEZ-SDKXAQGSSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-4-6-10(2)12(15)14-8-5-7-11(9-14)13-18(3,16)17/h6,11,13H,4-5,7-9H2,1-3H3/b10-6-/t11-/m1/s1.
What are the key properties of N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide?
N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 95150282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).