N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide

C26H32ClN3O2S — CID 138642500

IUPACN-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide
SMILESC=CC[C@@]1(C)CCC(c2ccc(Cl)cc2)N(C(CNS(=O)Cc2ccccn2)C2CC2)C1=O
InChIInChI=1S/C26H32ClN3O2S/c1-3-14-26(2)15-13-23(19-9-11-21(27)12-10-19)30(25(26)31)24(20-7-8-20)17-29-33(32)18-22-6-4-5-16-28-22/h3-6,9-12,16,20,23-24,29H,1,7-8,13-15,17-18H2,2H3/t23?,24?,26-,33?/m0/s1
InChIKeyKXJWVXLFUDDLDL-MCUWKOKZSA-N
MW486.08 g/mol
LogP5.21
Rot. Bonds10

About N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide

N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide (PubChem CID 138642500) has the molecular formula C26H32ClN3O2S and a molecular weight of 486.08 g/mol. Its IUPAC name is N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide.

Molecular Properties

Compound NameN-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide
PubChem CID138642500
Molecular FormulaC26H32ClN3O2S
Molecular Weight486.08 g/mol
Exact Mass485.19
IUPAC NameN-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide
SMILESC=CC[C@@]1(C)CCC(c2ccc(Cl)cc2)N(C(CNS(=O)Cc2ccccn2)C2CC2)C1=O
InChIInChI=1S/C26H32ClN3O2S/c1-3-14-26(2)15-13-23(19-9-11-21(27)12-10-19)30(25(26)31)24(20-7-8-20)17-29-33(32)18-22-6-4-5-16-28-22/h3-6,9-12,16,20,23-24,29H,1,7-8,13-15,17-18H2,2H3/t23?,24?,26-,33?/m0/s1
InChIKeyKXJWVXLFUDDLDL-MCUWKOKZSA-N
XLogP5.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.08
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chlorophenyl)-1-[cyclopropyl(pyridin-2-yl)methyl]-3-methyl-3-prop-2-enylpiperidin-2-one
CID 167215651
(3R)-1-(2-tert-butylsulfanyl-1-cyclopropylethyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enylpiperidin-2-one
CID 130458497
(3R)-6-(4-chlorophenyl)-1-(1-cyclopropyl-2-hydroxypropyl)-3-methyl-3-prop-2-enylpiperidin-2-one
CID 138641817
(3R)-1-(2-tert-butylsulfanyl-1-cyclopropylethyl)-6-(4-chloro-3-fluorophenyl)-3-methyl-3-prop-2-enylpiperidin-2-one
CID 130458500
3-chloro-N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]propane-1-sulfonamide
CID 138642370
2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 138641775
5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-(methylamino)ethyl]-3-methyl-3-prop-2-enylpiperidin-2-one
CID 77384498
(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[cyclopropyl(pyridin-2-yl)methyl]-3-methyl-3-prop-2-enylpiperidin-2-one
CID 67998514
N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide
CID 76834468
2-[(3R,6S)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-[methylsulfinyl(propan-2-yl)amino]ethyl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 138642501
(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-3-prop-2-enylpiperidine
CID 129153675
2-[(3R)-1-(2-tert-butylsulfinyl-1-cyclopropylethyl)-6-(4-chloro-3-fluorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetaldehyde;chlorobenzene;methanol;2-methoxy-4-(methylamino)benzaldehyde
CID 144692778

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide?
The IUPAC name of N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide (CID 138642500) is N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide.
What is the SMILES notation for N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide?
The canonical SMILES for N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide is C=CC[C@@]1(C)CCC(c2ccc(Cl)cc2)N(C(CNS(=O)Cc2ccccn2)C2CC2)C1=O.
What is the InChIKey of N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide?
The InChIKey is KXJWVXLFUDDLDL-MCUWKOKZSA-N. The full InChI is InChI=1S/C26H32ClN3O2S/c1-3-14-26(2)15-13-23(19-9-11-21(27)12-10-19)30(25(26)31)24(20-7-8-20)17-29-33(32)18-22-6-4-5-16-28-22/h3-6,9-12,16,20,23-24,29H,1,7-8,13-15,17-18H2,2H3/t23?,24?,26-,33?/m0/s1.
What are the key properties of N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide?
N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide has a molecular weight of 486.08 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-1-pyridin-2-ylmethanesulfinamide is sourced from PubChem (CID 138642500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).