4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide

C8H10ClN3O3S2 — CID 54975901

IUPAC4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide
SMILESO=S1CCN(S(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C8H10ClN3O3S2/c9-8-10-5-7(6-11-8)17(14,15)12-1-3-16(13)4-2-12/h5-6H,1-4H2
InChIKeyVWINAAOKICIOMN-UHFFFAOYSA-N
MW295.77 g/mol
LogP-0.12
Rot. Bonds2

About 4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide

4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide (PubChem CID 54975901) has the molecular formula C8H10ClN3O3S2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide
PubChem CID54975901
Molecular FormulaC8H10ClN3O3S2
Molecular Weight295.77 g/mol
Exact Mass294.99
IUPAC Name4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide
SMILESO=S1CCN(S(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C8H10ClN3O3S2/c9-8-10-5-7(6-11-8)17(14,15)12-1-3-16(13)4-2-12/h5-6H,1-4H2
InChIKeyVWINAAOKICIOMN-UHFFFAOYSA-N
XLogP-0.12
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine
CID 43456484
5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 62159105
2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine
CID 61044838
N-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 62157663
2-chloro-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyrimidine
CID 114408721
5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloropyrimidine
CID 62090054
1-(2-chloropyrimidin-5-yl)sulfonyl-4-methylazepane
CID 55249605
2-chloro-5-(4-prop-2-ynylpiperazin-1-yl)sulfonylpyrimidine
CID 61046652
2-chloro-5-[4-(3-methylbutyl)piperazin-1-yl]sulfonylpyrimidine
CID 61046840
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide
CID 54975156
2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 113288420
4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-diazepan-2-one
CID 65366121

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide (CID 54975901) is 4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide is O=S1CCN(S(=O)(=O)c2cnc(Cl)nc2)CC1.
What is the InChIKey of 4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide?
The InChIKey is VWINAAOKICIOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3S2/c9-8-10-5-7(6-11-8)17(14,15)12-1-3-16(13)4-2-12/h5-6H,1-4H2.
What are the key properties of 4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide?
4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide has a molecular weight of 295.77 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 54975901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).