4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide

C11H19N3O3S2 — CID 71855169

IUPAC4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESCCn1cc(S(=O)(=O)N2CCS(=O)C(C)(C)C2)cn1
InChIInChI=1S/C11H19N3O3S2/c1-4-13-8-10(7-12-13)19(16,17)14-5-6-18(15)11(2,3)9-14/h7-8H,4-6,9H2,1-3H3
InChIKeySLBABAVYUKAEHN-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.43
Rot. Bonds3

About 4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide

4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 71855169) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide
PubChem CID71855169
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESCCn1cc(S(=O)(=O)N2CCS(=O)C(C)(C)C2)cn1
InChIInChI=1S/C11H19N3O3S2/c1-4-13-8-10(7-12-13)19(16,17)14-5-6-18(15)11(2,3)9-14/h7-8H,4-6,9H2,1-3H3
InChIKeySLBABAVYUKAEHN-UHFFFAOYSA-N
XLogP0.43
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-4-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide
CID 96539105
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CID 95720503
5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 56706575
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 17060352
5-(1-ethylpyrazol-4-yl)sulfonyl-1-methyl-1,5-diazacycloundecan-2-one
CID 110201452
1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone
CID 56903815
3-[1-(2-chloroethyl)pyrazol-4-yl]sulfonyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79165195
1-(1-ethylpyrazol-4-yl)sulfonyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperazine
CID 131907176
2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 154906899
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 17060302
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
CID 22208281
4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine
CID 98137739

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide (CID 71855169) is 4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide is CCn1cc(S(=O)(=O)N2CCS(=O)C(C)(C)C2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is SLBABAVYUKAEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-4-13-8-10(7-12-13)19(16,17)14-5-6-18(15)11(2,3)9-14/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide?
4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 305.43 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 71855169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).