N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide

C15H19ClN2O3S — CID 97455118

IUPACN-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O3S/c1-22(20,21)17-14-3-2-10-18(11-14)15(19)9-6-12-4-7-13(16)8-5-12/h4-9,14,17H,2-3,10-11H2,1H3/b9-6-/t14-/m1/s1
InChIKeyDLHPJKDENAVZEL-DEBLGDTFSA-N
MW342.85 g/mol
LogP1.89
Rot. Bonds4

About N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide

N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide (PubChem CID 97455118) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
PubChem CID97455118
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC NameN-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O3S/c1-22(20,21)17-14-3-2-10-18(11-14)15(19)9-6-12-4-7-13(16)8-5-12/h4-9,14,17H,2-3,10-11H2,1H3/b9-6-/t14-/m1/s1
InChIKeyDLHPJKDENAVZEL-DEBLGDTFSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 51.89
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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Related Compounds

N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 97455074
N-[1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 72687849
(E)-3-(4-chlorophenyl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415670
(E)-1-[(3R)-3-aminopiperidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 102978536
[(3R)-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95763389
(Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 129407336
4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55940381
(E)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 81468865
1-[3-(methylamino)piperidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
CID 76946195
3-(4-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 126784591
3-(4-chlorophenyl)-1-[(3R)-3-methoxypyrrolidin-1-yl]prop-2-en-1-one
CID 90917935
3-(4-chlorophenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 809689

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide (CID 97455118) is N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is DLHPJKDENAVZEL-DEBLGDTFSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-22(20,21)17-14-3-2-10-18(11-14)15(19)9-6-12-4-7-13(16)8-5-12/h4-9,14,17H,2-3,10-11H2,1H3/b9-6-/t14-/m1/s1.
What are the key properties of N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide?
N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 342.85 g/mol, XLogP of 1.89, 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)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 97455118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).