(2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone

C19H29N3O3S — CID 42935769

IUPAC(2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCc1ccn(C(=O)C2CCN(S(C)(=O)=O)CC2)/c(=N/C2CCCCC2)c1
InChIInChI=1S/C19H29N3O3S/c1-15-8-13-22(18(14-15)20-17-6-4-3-5-7-17)19(23)16-9-11-21(12-10-16)26(2,24)25/h8,13-14,16-17H,3-7,9-12H2,1-2H3/b20-18+
InChIKeyZQKRXSRGFPSHEN-CZIZESTLSA-N
MW379.53 g/mol
LogP2.34
Rot. Bonds3

About (2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone

(2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 42935769) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is (2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID42935769
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name(2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCc1ccn(C(=O)C2CCN(S(C)(=O)=O)CC2)/c(=N/C2CCCCC2)c1
InChIInChI=1S/C19H29N3O3S/c1-15-8-13-22(18(14-15)20-17-6-4-3-5-7-17)19(23)16-9-11-21(12-10-16)26(2,24)25/h8,13-14,16-17H,3-7,9-12H2,1-2H3/b20-18+
InChIKeyZQKRXSRGFPSHEN-CZIZESTLSA-N
XLogP2.34
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone 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

1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 134035839
(3aR,7aS)-2-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98316850
(2-cyclohexylimino-4-methyl-1-pyridinyl)-(2-methoxyphenyl)methanone
CID 46517992
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 24667255
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
(4-methylsulfonyl-1,4-diazepan-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24667244
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate
CID 16605331
N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17469903
N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19582082
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110728182

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone (CID 42935769) is (2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone is Cc1ccn(C(=O)C2CCN(S(C)(=O)=O)CC2)/c(=N/C2CCCCC2)c1.
What is the InChIKey of (2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is ZQKRXSRGFPSHEN-CZIZESTLSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15-8-13-22(18(14-15)20-17-6-4-3-5-7-17)19(23)16-9-11-21(12-10-16)26(2,24)25/h8,13-14,16-17H,3-7,9-12H2,1-2H3/b20-18+.
What are the key properties of (2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
(2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 379.53 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylimino-4-methyl-1-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 42935769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).