(3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide

C15H23NO2S — CID 97007589

IUPAC(3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccccc1CCCN1CCS(=O)(=O)C[C@H]1C
InChIInChI=1S/C15H23NO2S/c1-13-6-3-4-7-15(13)8-5-9-16-10-11-19(17,18)12-14(16)2/h3-4,6-7,14H,5,8-12H2,1-2H3/t14-/m1/s1
InChIKeyYHGYRWUTJUEWCU-CQSZACIVSA-N
MW281.42 g/mol
LogP2.05
Rot. Bonds4

About (3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide

(3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 97007589) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide
PubChem CID97007589
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccccc1CCCN1CCS(=O)(=O)C[C@H]1C
InChIInChI=1S/C15H23NO2S/c1-13-6-3-4-7-15(13)8-5-9-16-10-11-19(17,18)12-14(16)2/h3-4,6-7,14H,5,8-12H2,1-2H3/t14-/m1/s1
InChIKeyYHGYRWUTJUEWCU-CQSZACIVSA-N
XLogP2.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-thiazinane 1,1-dioxide
CID 71999840
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone
CID 102884755
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-one
CID 103935807
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885976
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886646
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol
CID 102886658
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 104926801
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine
CID 102886557
6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane
CID 86770947

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide (CID 97007589) is (3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide is Cc1ccccc1CCCN1CCS(=O)(=O)C[C@H]1C.
What is the InChIKey of (3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is YHGYRWUTJUEWCU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-13-6-3-4-7-15(13)8-5-9-16-10-11-19(17,18)12-14(16)2/h3-4,6-7,14H,5,8-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide?
(3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 281.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 97007589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).