4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide

C14H21NO2S — CID 59865822

IUPAC4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1ccccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)12-6-4-5-7-13(12)15-8-10-18(16,17)11-9-15/h4-7H,8-11H2,1-3H3
InChIKeyAOKILVCSCRLPSJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.22
Rot. Bonds1

About 4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide

4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 59865822) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
PubChem CID59865822
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1ccccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)12-6-4-5-7-13(12)15-8-10-18(16,17)11-9-15/h4-7H,8-11H2,1-3H3
InChIKeyAOKILVCSCRLPSJ-UHFFFAOYSA-N
XLogP2.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide (CID 59865822) is 4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide is CC(C)(C)c1ccccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is AOKILVCSCRLPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,3)12-6-4-5-7-13(12)15-8-10-18(16,17)11-9-15/h4-7H,8-11H2,1-3H3.
What are the key properties of 4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide?
4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 267.39 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 59865822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).