2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine

C11H17NO3S — CID 117036219

IUPAC2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine
SMILESCOc1ccc(C)cc1S(=O)(=O)C(C)(C)N
InChIInChI=1S/C11H17NO3S/c1-8-5-6-9(15-4)10(7-8)16(13,14)11(2,3)12/h5-7H,12H2,1-4H3
InChIKeyGXTMPKVZZGZSOS-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.47
Rot. Bonds3

About 2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine

2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine (PubChem CID 117036219) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine
PubChem CID117036219
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine
SMILESCOc1ccc(C)cc1S(=O)(=O)C(C)(C)N
InChIInChI=1S/C11H17NO3S/c1-8-5-6-9(15-4)10(7-8)16(13,14)11(2,3)12/h5-7H,12H2,1-4H3
InChIKeyGXTMPKVZZGZSOS-UHFFFAOYSA-N
XLogP1.47
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)sulfonylpropan-2-amine
CID 117036237
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
(2-methoxy-5-methylphenyl)sulfonylmethanol
CID 117036688
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
phenyl 2-methoxy-5-methylbenzenesulfonate
CID 166600539
3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine
CID 122331622
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166187507
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine (CID 117036219) is 2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine is COc1ccc(C)cc1S(=O)(=O)C(C)(C)N.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine?
The InChIKey is GXTMPKVZZGZSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8-5-6-9(15-4)10(7-8)16(13,14)11(2,3)12/h5-7H,12H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine?
2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine has a molecular weight of 243.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine is sourced from PubChem (CID 117036219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).