N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide

C22H27N3O3S — CID 118679493

IUPACN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O3S/c26-22(25-11-9-19(10-12-25)18-5-2-1-3-6-18)23-20-7-4-8-21(17-20)24-13-15-29(27,28)16-14-24/h1-8,17,19H,9-16H2,(H,23,26)
InChIKeyBXAMRUYBNNLPOA-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.33
Rot. Bonds3

About N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide

N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 118679493) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide
PubChem CID118679493
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O3S/c26-22(25-11-9-19(10-12-25)18-5-2-1-3-6-18)23-20-7-4-8-21(17-20)24-13-15-29(27,28)16-14-24/h1-8,17,19H,9-16H2,(H,23,26)
InChIKeyBXAMRUYBNNLPOA-UHFFFAOYSA-N
XLogP3.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(3R,4R)-1-(1,1-dioxothian-4-yl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylurea
CID 73265452
(1R,5S)-3-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 44190908
1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(4-methanesulfonyl-phenyl)-urea
CID 44295288
3-{[(benzylsulfonyl)amino]methyl}-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 16189496
3-{[(benzylsulfonyl)amino]methyl}-N-phenylpiperidine-1-carboxamide
CID 16189557
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 118679448
1-[4-(1,1-Dioxo-1,4-thiazinan-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 166627039
N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide
CID 46041032
N-(4-(tert-butyl)phenyl)-4-(methylsulfonyl)piperidine-1-carboxamide
CID 71805740
(E)-N-(4-fluorophenyl)-4-((2-phenylvinylsulfonamido)methyl)piperidine-1-carboxamide
CID 49686655
N-(4-methylphenyl)-1-oxo-1,4-thiazinane-4-carboxamide
CID 53593235
N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiomorpholine-4-carboxamide 1,1-dioxide
CID 72901634

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide (CID 118679493) is N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide is O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is BXAMRUYBNNLPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c26-22(25-11-9-19(10-12-25)18-5-2-1-3-6-18)23-20-7-4-8-21(17-20)24-13-15-29(27,28)16-14-24/h1-8,17,19H,9-16H2,(H,23,26).
What are the key properties of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide?
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 118679493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).