[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone

C17H24N2O3S — CID 7686080

IUPAC[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1
InChIInChI=1S/C17H24N2O3S/c1-14-7-10-18(11-8-14)17(20)15-5-4-6-16(13-15)19-9-2-3-12-23(19,21)22/h4-6,13-14H,2-3,7-12H2,1H3
InChIKeyLSPMAXRNSJAAKW-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.49
Rot. Bonds2

About [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone

[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 7686080) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID7686080
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1
InChIInChI=1S/C17H24N2O3S/c1-14-7-10-18(11-8-14)17(20)15-5-4-6-16(13-15)19-9-2-3-12-23(19,21)22/h4-6,13-14H,2-3,7-12H2,1H3
InChIKeyLSPMAXRNSJAAKW-UHFFFAOYSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-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-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide
CID 7686132
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 7659007
[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 119520117
ethyl 4-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperazine-1-carboxylate
CID 7685998
(4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 128926995
[3-(1,1-dioxothiazinan-2-yl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 7499097
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110309764
4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-N,N-diethylpiperazine-1-carboxamide
CID 34220448
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 44900852
(2S)-4-[3-(1,1-dioxothiazinan-2-yl)benzoyl]-N-methylpiperazine-2-carboxamide
CID 124943564
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 120655887
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120998010

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone (CID 7686080) is [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1.
What is the InChIKey of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is LSPMAXRNSJAAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-14-7-10-18(11-8-14)17(20)15-5-4-6-16(13-15)19-9-2-3-12-23(19,21)22/h4-6,13-14H,2-3,7-12H2,1H3.
What are the key properties of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone?
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 336.46 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 7686080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).