5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine

C14H23NO2S — CID 81329091

IUPAC5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine
SMILESCOc1ccccc1S(=O)CCCC(C)(C)CN
InChIInChI=1S/C14H23NO2S/c1-14(2,11-15)9-6-10-18(16)13-8-5-4-7-12(13)17-3/h4-5,7-8H,6,9-11,15H2,1-3H3
InChIKeyQPIARNKHEKYGOC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.57
Rot. Bonds7

About 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine

5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine (PubChem CID 81329091) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine
PubChem CID81329091
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine
SMILESCOc1ccccc1S(=O)CCCC(C)(C)CN
InChIInChI=1S/C14H23NO2S/c1-14(2,11-15)9-6-10-18(16)13-8-5-4-7-12(13)17-3/h4-5,7-8H,6,9-11,15H2,1-3H3
InChIKeyQPIARNKHEKYGOC-UHFFFAOYSA-N
XLogP2.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxyphenyl)sulfinylpentanoic acid
CID 61290365
5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine
CID 115477764
N-[2-(2-methoxyphenyl)sulfinylethyl]propan-2-amine
CID 64659998
methyl 3-(2-methoxyphenyl)sulfinyl-2,2-dimethylpropanoate
CID 79620325
N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine
CID 64660191
tert-butyl 2-[(S)-(2-methoxyphenyl)sulfinyl]acetate
CID 138538379
4-(4-methoxyphenyl)sulfinyl-2,2-dimethylbutan-1-amine
CID 81329116
[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328070
5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine
CID 81328261
N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine
CID 64658239
2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine
CID 81328342
2-methoxybenzenesulfinic acid;zinc
CID 175016195

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine (CID 81329091) is 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine is COc1ccccc1S(=O)CCCC(C)(C)CN.
What is the InChIKey of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine?
The InChIKey is QPIARNKHEKYGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-14(2,11-15)9-6-10-18(16)13-8-5-4-7-12(13)17-3/h4-5,7-8H,6,9-11,15H2,1-3H3.
What are the key properties of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine?
5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 81329091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).