(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone

C17H17NO2S — CID 110721543

IUPAC(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CCS(=O)CC1
InChIInChI=1S/C17H17NO2S/c19-17(18-9-11-21(20)12-10-18)16-8-4-7-15(13-16)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyBTIGGIVLZDWMQO-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.56
Rot. Bonds2

About (1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone

(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone (PubChem CID 110721543) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is (1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone.

Molecular Properties

Compound Name(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
PubChem CID110721543
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CCS(=O)CC1
InChIInChI=1S/C17H17NO2S/c19-17(18-9-11-21(20)12-10-18)16-8-4-7-15(13-16)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyBTIGGIVLZDWMQO-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721506
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110803225
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
[3-(4-hydroxyphenyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 74250458
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone?
The IUPAC name of (1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone (CID 110721543) is (1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone.
What is the SMILES notation for (1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone?
The canonical SMILES for (1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone is O=C(c1cccc(-c2ccccc2)c1)N1CCS(=O)CC1.
What is the InChIKey of (1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone?
The InChIKey is BTIGGIVLZDWMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-17(18-9-11-21(20)12-10-18)16-8-4-7-15(13-16)14-5-2-1-3-6-14/h1-8,13H,9-12H2.
What are the key properties of (1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone?
(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone has a molecular weight of 299.40 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone is sourced from PubChem (CID 110721543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).