4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide

C14H21NO4S2 — CID 91029877

IUPAC4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C14H21NO4S2/c1-14(2,3)12-4-6-13(7-5-12)21(18,19)15-8-10-20(16,17)11-9-15/h4-7H,8-11H2,1-3H3
InChIKeyGOCQHVATRZNKGL-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.40
Rot. Bonds2

About 4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide

4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (PubChem CID 91029877) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
PubChem CID91029877
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Name4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C14H21NO4S2/c1-14(2,3)12-4-6-13(7-5-12)21(18,19)15-8-10-20(16,17)11-9-15/h4-7H,8-11H2,1-3H3
InChIKeyGOCQHVATRZNKGL-UHFFFAOYSA-N
XLogP1.40
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 22503089
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
4-(4-tert-butylphenyl)sulfonyl-7-phenyl-1,4-thiazepane 1,1-dioxide
CID 121192165
1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 19684674
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 19684568
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665639
1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974952
(1S,5R)-3-(4-tert-butylphenyl)sulfonyl-8-cyclopentyl-3,8-diazabicyclo[3.2.1]octane
CID 46880554
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,2,2-trifluoroethanone
CID 108567599
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
4-(4-tert-butylphenyl)sulfonyl-N-methylpiperazine-1-carbothioamide
CID 8677525
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721496

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (CID 91029877) is 4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is CC(C)(C)c1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is GOCQHVATRZNKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-14(2,3)12-4-6-13(7-5-12)21(18,19)15-8-10-20(16,17)11-9-15/h4-7H,8-11H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 331.46 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 91029877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).