2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide

C16H19NO3S2 — CID 71974611

IUPAC2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide
SMILESCC1C(C)S(=O)CCN1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H19NO3S2/c1-12-13(2)21(18)11-10-17(12)22(19,20)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12-13H,10-11H2,1-2H3
InChIKeyLFAYONGVEAWDIZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.37
Rot. Bonds2

About 2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide

2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide (PubChem CID 71974611) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide
PubChem CID71974611
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide
SMILESCC1C(C)S(=O)CCN1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H19NO3S2/c1-12-13(2)21(18)11-10-17(12)22(19,20)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12-13H,10-11H2,1-2H3
InChIKeyLFAYONGVEAWDIZ-UHFFFAOYSA-N
XLogP2.37
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,3S)-4-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dimethyl-1,4-thiazinane 1-oxide
CID 99846934
(2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride
CID 120717041
4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
2,3-dimethyl-4-(3,4,5-trifluorophenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 71997514
1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
CID 14315681
(2R)-3-naphthalen-1-ylsulfonyl-2-phenyl-1,3-thiazolidine
CID 7272536
3-bromo-4-methyl-1-naphthalen-1-ylsulfonylpiperidine
CID 102962673
(3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol
CID 131909896
2-(2-methoxyphenyl)-3-naphthalen-1-ylsulfonyl-1,3-thiazolidine
CID 3930922
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
1-methylsulfonylnaphthalene
CID 11206535

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide?
The IUPAC name of 2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide (CID 71974611) is 2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide is CC1C(C)S(=O)CCN1S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide?
The InChIKey is LFAYONGVEAWDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-12-13(2)21(18)11-10-17(12)22(19,20)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide?
2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide has a molecular weight of 337.47 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 71974611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).