(3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide

C20H23BrFNO2S — CID 144760983

IUPAC(3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide
SMILESC[C@H]1CCC(CCc2ccccc2)S(=O)(=O)N1Cc1ccc(Br)cc1F
InChIInChI=1S/C20H23BrFNO2S/c1-15-7-11-19(12-8-16-5-3-2-4-6-16)26(24,25)23(15)14-17-9-10-18(21)13-20(17)22/h2-6,9-10,13,15,19H,7-8,11-12,14H2,1H3/t15-,19?/m0/s1
InChIKeyMYMDHSKEDRAZHZ-FUKCDUGKSA-N
MW440.38 g/mol
LogP4.90
Rot. Bonds5

About (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide

(3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide (PubChem CID 144760983) has the molecular formula C20H23BrFNO2S and a molecular weight of 440.38 g/mol. Its IUPAC name is (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide
PubChem CID144760983
Molecular FormulaC20H23BrFNO2S
Molecular Weight440.38 g/mol
Exact Mass439.06
IUPAC Name(3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide
SMILESC[C@H]1CCC(CCc2ccccc2)S(=O)(=O)N1Cc1ccc(Br)cc1F
InChIInChI=1S/C20H23BrFNO2S/c1-15-7-11-19(12-8-16-5-3-2-4-6-16)26(24,25)23(15)14-17-9-10-18(21)13-20(17)22/h2-6,9-10,13,15,19H,7-8,11-12,14H2,1H3/t15-,19?/m0/s1
InChIKeyMYMDHSKEDRAZHZ-FUKCDUGKSA-N
XLogP4.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[3-ethyl-1,1-dioxo-6-(2-phenylethyl)thiazinan-2-yl]methyl]-3-fluorophenyl]-1-methylsulfonylpiperidin-4-amine
CID 123152931
1-[4-[3-fluoro-4-[[3-methyl-6-[4-(4-methylphenyl)butyl]-1,1-dioxothiazinan-2-yl]methyl]phenyl]piperazin-1-yl]ethanone
CID 123640538
N-[4-[(6-benzyl-3-methyl-1,1-dioxothiazinan-2-yl)methyl]-3-fluorophenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 123602228
2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]acetic acid
CID 118222985
4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine
CID 123437580
5,5-dimethyl-3-[4-[3-methyl-4-[[3-methyl-1,1-dioxo-6-(4-phenylbutyl)thiazinan-2-yl]methyl]phenyl]piperazin-1-yl]cyclohex-2-en-1-one
CID 123616712
1-[4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-pyridin-2-ylthiazinan-2-yl)methyl]phenyl]piperazin-1-yl]ethanone
CID 122636522
2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide
CID 118223155
2-[4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-yl]acetamide
CID 123725565
N-[4-cyano-4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclohexyl]acetamide
CID 118232702
1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]ethylazanium chloride
CID 135325905
methyl 4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxane-4-carboxylate
CID 118232533

Frequently Asked Questions

What is the IUPAC name of (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide?
The IUPAC name of (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide (CID 144760983) is (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide.
What is the SMILES notation for (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide?
The canonical SMILES for (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide is C[C@H]1CCC(CCc2ccccc2)S(=O)(=O)N1Cc1ccc(Br)cc1F.
What is the InChIKey of (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide?
The InChIKey is MYMDHSKEDRAZHZ-FUKCDUGKSA-N. The full InChI is InChI=1S/C20H23BrFNO2S/c1-15-7-11-19(12-8-16-5-3-2-4-6-16)26(24,25)23(15)14-17-9-10-18(21)13-20(17)22/h2-6,9-10,13,15,19H,7-8,11-12,14H2,1H3/t15-,19?/m0/s1.
What are the key properties of (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide?
(3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide has a molecular weight of 440.38 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-(2-phenylethyl)thiazinane 1,1-dioxide is sourced from PubChem (CID 144760983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).