(4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide

C9H10ClNO3S — CID 176577581

IUPAC(4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide
SMILESO=S1(=O)N[C@H](c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C9H10ClNO3S/c10-8-3-1-7(2-4-8)9-5-6-14-15(12,13)11-9/h1-4,9,11H,5-6H2/t9-/m0/s1
InChIKeyGFJVWGZOFGVVKP-VIFPVBQESA-N
MW247.70 g/mol
LogP1.64
Rot. Bonds1

About (4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide

(4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide (PubChem CID 176577581) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is (4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name(4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide
PubChem CID176577581
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name(4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide
SMILESO=S1(=O)N[C@H](c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C9H10ClNO3S/c10-8-3-1-7(2-4-8)9-5-6-14-15(12,13)11-9/h1-4,9,11H,5-6H2/t9-/m0/s1
InChIKeyGFJVWGZOFGVVKP-VIFPVBQESA-N
XLogP1.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)oxathiazinane 2,2-dioxide
CID 91844925
5-(4-chlorophenyl)thiomorpholin-3-one
CID 105485089
(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 2097974
(4S)-4-(4-chlorophenyl)azetidine-2-thione
CID 102306093
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
6-(4-chlorophenyl)diazinan-3-one
CID 139782184
3-(4-chlorophenyl)-5-methylmorpholine
CID 57226628
(4S)-4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine
CID 135573667
4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine
CID 135760770
8-(4-chlorophenyl)azocan-2-one
CID 165492296
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide?
The IUPAC name of (4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide (CID 176577581) is (4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide.
What is the SMILES notation for (4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide?
The canonical SMILES for (4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide is O=S1(=O)N[C@H](c2ccc(Cl)cc2)CCO1.
What is the InChIKey of (4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide?
The InChIKey is GFJVWGZOFGVVKP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10ClNO3S/c10-8-3-1-7(2-4-8)9-5-6-14-15(12,13)11-9/h1-4,9,11H,5-6H2/t9-/m0/s1.
What are the key properties of (4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide?
(4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide has a molecular weight of 247.70 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide is sourced from PubChem (CID 176577581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).