2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide

C14H21NO2S — CID 82134036

IUPAC2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide
SMILESCC(C)c1ccc(CN2CCCCS2(=O)=O)cc1
InChIInChI=1S/C14H21NO2S/c1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-18(15,16)17/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyMBCFCYKVXLSCTH-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.74
Rot. Bonds3

About 2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide

2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide (PubChem CID 82134036) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide
PubChem CID82134036
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide
SMILESCC(C)c1ccc(CN2CCCCS2(=O)=O)cc1
InChIInChI=1S/C14H21NO2S/c1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-18(15,16)17/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyMBCFCYKVXLSCTH-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1,1-dioxothiazinan-2-yl)methyl]aniline
CID 83824828
2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
CID 82130195
2-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 141184673
2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
CID 134095007
1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide
CID 158612110
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 60523011
2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
CID 82132335
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 53030269
5-benzyl-1,4,5-oxathiazocane 4,4-dioxide
CID 24816470
2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide
CID 94698244
2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 47293917

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide (CID 82134036) is 2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide is CC(C)c1ccc(CN2CCCCS2(=O)=O)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide?
The InChIKey is MBCFCYKVXLSCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-18(15,16)17/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide?
2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide has a molecular weight of 267.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 82134036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).