4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide

C18H26N2O4S — CID 90649436

IUPAC4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCO1)c1ccc(CN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c21-18(19-13-17-3-1-2-10-24-17)16-6-4-15(5-7-16)14-20-8-11-25(22,23)12-9-20/h4-7,17H,1-3,8-14H2,(H,19,21)
InChIKeyJGNPJQDTNKOTPP-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.22
Rot. Bonds5

About 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide

4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide (PubChem CID 90649436) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide
PubChem CID90649436
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCO1)c1ccc(CN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c21-18(19-13-17-3-1-2-10-24-17)16-6-4-15(5-7-16)14-20-8-11-25(22,23)12-9-20/h4-7,17H,1-3,8-14H2,(H,19,21)
InChIKeyJGNPJQDTNKOTPP-UHFFFAOYSA-N
XLogP1.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 126425605
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
4-(imidazol-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93491347
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
1-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3148903
2-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 70846212
N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 95592894

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide (CID 90649436) is 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide is O=C(NCC1CCCCO1)c1ccc(CN2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is JGNPJQDTNKOTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c21-18(19-13-17-3-1-2-10-24-17)16-6-4-15(5-7-16)14-20-8-11-25(22,23)12-9-20/h4-7,17H,1-3,8-14H2,(H,19,21).
What are the key properties of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide?
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 366.48 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 90649436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).