2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine

C11H17NOS — CID 81175012

IUPAC2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine
SMILESCc1ccc(CS(=O)CCN)cc1C
InChIInChI=1S/C11H17NOS/c1-9-3-4-11(7-10(9)2)8-14(13)6-5-12/h3-4,7H,5-6,8,12H2,1-2H3
InChIKeyPWCDHHBWHLVALX-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.51
Rot. Bonds4

About 2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine

2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine (PubChem CID 81175012) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine
PubChem CID81175012
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine
SMILESCc1ccc(CS(=O)CCN)cc1C
InChIInChI=1S/C11H17NOS/c1-9-3-4-11(7-10(9)2)8-14(13)6-5-12/h3-4,7H,5-6,8,12H2,1-2H3
InChIKeyPWCDHHBWHLVALX-UHFFFAOYSA-N
XLogP1.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide
CID 75379567
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
4-[(3,4-dimethylphenyl)methylsulfinyl]-3-fluoroaniline
CID 81192692
2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]ethanamine
CID 58684611
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
4-bromo-2-[(3,4-dimethylphenyl)methylsulfinyl]aniline
CID 81206757
N-[(3,4-dimethylphenyl)methyl]-2-[(S)-methylsulfinyl]ethanamine
CID 97070832
1,2-dimethyl-4-(methylsulfonylmethyl)benzene
CID 89331302
[2-fluoro-5-(3-methylbutylsulfinylmethyl)phenyl]methanamine
CID 114012326
[2-fluoro-5-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
CID 107881573
[4-[(3,4-dimethylphenyl)sulfinylmethyl]-3-fluorophenyl]methanamine
CID 81328710
(2S)-2-[[2-[(R)-(3,4-dimethylphenyl)methylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide
CID 97070838

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine (CID 81175012) is 2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine is Cc1ccc(CS(=O)CCN)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine?
The InChIKey is PWCDHHBWHLVALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-3-4-11(7-10(9)2)8-14(13)6-5-12/h3-4,7H,5-6,8,12H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine?
2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine is sourced from PubChem (CID 81175012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).