[5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol

C12H16ClNO3S — CID 102884600

IUPAC[5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol
SMILESCC1CS(=O)(=O)CCN1c1ccc(Cl)cc1CO
InChIInChI=1S/C12H16ClNO3S/c1-9-8-18(16,17)5-4-14(9)12-3-2-11(13)6-10(12)7-15/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyLVNZEQPPVKGCKD-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.46
Rot. Bonds2

About [5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol

[5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol (PubChem CID 102884600) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is [5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol
PubChem CID102884600
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name[5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol
SMILESCC1CS(=O)(=O)CCN1c1ccc(Cl)cc1CO
InChIInChI=1S/C12H16ClNO3S/c1-9-8-18(16,17)5-4-14(9)12-3-2-11(13)6-10(12)7-15/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyLVNZEQPPVKGCKD-UHFFFAOYSA-N
XLogP1.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzenecarbothioamide
CID 102883514
(E)-3-[5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]prop-2-enoic acid
CID 102884967
4-[2-(bromomethyl)-4-fluorophenyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 107085438
(1S)-1-[3-fluoro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 102884592
5-fluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzoic acid
CID 102884312
[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 102882649
[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
CID 114845110
ethyl 3-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzoate
CID 102885804
N-[[3-fluoro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine
CID 102884919
[4-chloro-2-(2,4-dimethyl-1,4-diazepan-1-yl)phenyl]methanol
CID 114087365
[5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol
CID 114845142
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol (CID 102884600) is [5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol is CC1CS(=O)(=O)CCN1c1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol?
The InChIKey is LVNZEQPPVKGCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9-8-18(16,17)5-4-14(9)12-3-2-11(13)6-10(12)7-15/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of [5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol?
[5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol has a molecular weight of 289.78 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol is sourced from PubChem (CID 102884600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).