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

C15H19ClN2O3S — CID 97455074

IUPACN-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)/C=C\c2cccc(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3S/c1-22(20,21)17-14-6-3-9-18(11-14)15(19)8-7-12-4-2-5-13(16)10-12/h2,4-5,7-8,10,14,17H,3,6,9,11H2,1H3/b8-7-/t14-/m0/s1
InChIKeyHOYPFNMGYKXCDT-DANTVBBOSA-N
MW342.85 g/mol
LogP1.89
Rot. Bonds4

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

N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide (PubChem CID 97455074) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
PubChem CID97455074
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC NameN-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)/C=C\c2cccc(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3S/c1-22(20,21)17-14-6-3-9-18(11-14)15(19)8-7-12-4-2-5-13(16)10-12/h2,4-5,7-8,10,14,17H,3,6,9,11H2,1H3/b8-7-/t14-/m0/s1
InChIKeyHOYPFNMGYKXCDT-DANTVBBOSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide (CID 97455074) is N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN(C(=O)/C=C\c2cccc(Cl)c2)C1.
What is the InChIKey of N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is HOYPFNMGYKXCDT-DANTVBBOSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-22(20,21)17-14-6-3-9-18(11-14)15(19)8-7-12-4-2-5-13(16)10-12/h2,4-5,7-8,10,14,17H,3,6,9,11H2,1H3/b8-7-/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide?
N-[(3S)-1-[(Z)-3-(3-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-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 97455074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).