4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide

C17H20N2O3S — CID 75514937

IUPAC4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1cc(CN2CCS(=O)(=O)CC2)ccc1Oc1cccnc1
InChIInChI=1S/C17H20N2O3S/c1-14-11-15(13-19-7-9-23(20,21)10-8-19)4-5-17(14)22-16-3-2-6-18-12-16/h2-6,11-12H,7-10,13H2,1H3
InChIKeyFYKIDQFCCNETMD-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.41
Rot. Bonds4

About 4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 75514937) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID75514937
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1cc(CN2CCS(=O)(=O)CC2)ccc1Oc1cccnc1
InChIInChI=1S/C17H20N2O3S/c1-14-11-15(13-19-7-9-23(20,21)10-8-19)4-5-17(14)22-16-3-2-6-18-12-16/h2-6,11-12H,7-10,13H2,1H3
InChIKeyFYKIDQFCCNETMD-UHFFFAOYSA-N
XLogP2.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909162
3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
CID 56722412
(3-methyl-4-pyridin-3-yloxyphenyl)methanol
CID 62124917
N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 84593084
3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine
CID 126784882
1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768294
2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine
CID 86941178
2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid
CID 122036971
1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine
CID 135385042
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methoxybenzonitrile
CID 65344017
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339019
4-[[(3-methyl-4-pyridin-3-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962532

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 75514937) is 4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide is Cc1cc(CN2CCS(=O)(=O)CC2)ccc1Oc1cccnc1.
What is the InChIKey of 4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is FYKIDQFCCNETMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14-11-15(13-19-7-9-23(20,21)10-8-19)4-5-17(14)22-16-3-2-6-18-12-16/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 332.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 75514937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).