(4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide

C14H22FNO2S — CID 140635325

IUPAC(4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide
SMILESCC[C@H](CC(C)(C)S(N)=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO2S/c1-5-10(9-14(2,3)19(16)17)11-6-7-13(18-4)12(15)8-11/h6-8,10H,5,9,16H2,1-4H3/t10-,19?/m1/s1
InChIKeyXWCCVMNMTJVDIS-VTZGEWFSSA-N
MW287.40 g/mol
LogP3.12
Rot. Bonds6

About (4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide

(4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide (PubChem CID 140635325) has the molecular formula C14H22FNO2S and a molecular weight of 287.40 g/mol. Its IUPAC name is (4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide.

Molecular Properties

Compound Name(4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide
PubChem CID140635325
Molecular FormulaC14H22FNO2S
Molecular Weight287.40 g/mol
Exact Mass287.14
IUPAC Name(4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide
SMILESCC[C@H](CC(C)(C)S(N)=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO2S/c1-5-10(9-14(2,3)19(16)17)11-6-7-13(18-4)12(15)8-11/h6-8,10H,5,9,16H2,1-4H3/t10-,19?/m1/s1
InChIKeyXWCCVMNMTJVDIS-VTZGEWFSSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluoro-4-methoxyphenyl)-2-methylpentane-2-sulfinamide
CID 140875586
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 79052974
1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053803
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399
diethyl 2-(3-fluoro-4-methoxyphenyl)propanedioate
CID 62795748
5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide
CID 62934355
2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene
CID 174252314
4-(1-chloro-2-methylbutyl)-2-fluoro-1-methoxybenzene
CID 61083454
2-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343688

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide?
The IUPAC name of (4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide (CID 140635325) is (4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide.
What is the SMILES notation for (4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide?
The canonical SMILES for (4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide is CC[C@H](CC(C)(C)S(N)=O)c1ccc(OC)c(F)c1.
What is the InChIKey of (4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide?
The InChIKey is XWCCVMNMTJVDIS-VTZGEWFSSA-N. The full InChI is InChI=1S/C14H22FNO2S/c1-5-10(9-14(2,3)19(16)17)11-6-7-13(18-4)12(15)8-11/h6-8,10H,5,9,16H2,1-4H3/t10-,19?/m1/s1.
What are the key properties of (4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide?
(4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide has a molecular weight of 287.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-fluoro-4-methoxyphenyl)-2-methylhexane-2-sulfinamide is sourced from PubChem (CID 140635325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).