(2,3-dimethyl-5-methylsulfonylphenyl)methanamine

C10H15NO2S — CID 117304486

IUPAC(2,3-dimethyl-5-methylsulfonylphenyl)methanamine
SMILESCc1cc(S(C)(=O)=O)cc(CN)c1C
InChIInChI=1S/C10H15NO2S/c1-7-4-10(14(3,12)13)5-9(6-11)8(7)2/h4-5H,6,11H2,1-3H3
InChIKeyDFWGWPOBFVFXCD-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.17
Rot. Bonds2

About (2,3-dimethyl-5-methylsulfonylphenyl)methanamine

(2,3-dimethyl-5-methylsulfonylphenyl)methanamine (PubChem CID 117304486) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (2,3-dimethyl-5-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-dimethyl-5-methylsulfonylphenyl)methanamine
PubChem CID117304486
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(2,3-dimethyl-5-methylsulfonylphenyl)methanamine
SMILESCc1cc(S(C)(=O)=O)cc(CN)c1C
InChIInChI=1S/C10H15NO2S/c1-7-4-10(14(3,12)13)5-9(6-11)8(7)2/h4-5H,6,11H2,1-3H3
InChIKeyDFWGWPOBFVFXCD-UHFFFAOYSA-N
XLogP1.17
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-5-methylsulfonylphenyl)methanamine
CID 143705583
(5-ethyl-2,3-dimethylphenyl)methanamine
CID 117276223
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406
3-(aminomethyl)-N-tert-butyl-4-fluoro-5-methylbenzenesulfonamide
CID 81435748
2-chloro-3-methyl-5-methylsulfonylaniline
CID 45156896
2-(2,3-dimethyl-5-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 117394666
methyl 2-(aminomethyl)-4-methylsulfonylbenzoate
CID 141002020
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375869
(4-methylsulfonyl-2-nitrophenyl)methanamine
CID 44518858
3-(aminomethyl)-4-fluoro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 106075398
2-ethyl-6-fluoro-4-methylsulfonylaniline
CID 126485252
2-iodo-6-methyl-4-methylsulfonylphenol
CID 126611860

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-5-methylsulfonylphenyl)methanamine?
The IUPAC name of (2,3-dimethyl-5-methylsulfonylphenyl)methanamine (CID 117304486) is (2,3-dimethyl-5-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (2,3-dimethyl-5-methylsulfonylphenyl)methanamine?
The canonical SMILES for (2,3-dimethyl-5-methylsulfonylphenyl)methanamine is Cc1cc(S(C)(=O)=O)cc(CN)c1C.
What is the InChIKey of (2,3-dimethyl-5-methylsulfonylphenyl)methanamine?
The InChIKey is DFWGWPOBFVFXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-4-10(14(3,12)13)5-9(6-11)8(7)2/h4-5H,6,11H2,1-3H3.
What are the key properties of (2,3-dimethyl-5-methylsulfonylphenyl)methanamine?
(2,3-dimethyl-5-methylsulfonylphenyl)methanamine has a molecular weight of 213.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-5-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 117304486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).