6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide

C11H18N2O3S — CID 93081246

IUPAC6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC[C@H](C)O)c1C
InChIInChI=1S/C11H18N2O3S/c1-7-4-5-10(12)11(9(7)3)17(15,16)13-6-8(2)14/h4-5,8,13-14H,6,12H2,1-3H3/t8-/m0/s1
InChIKeyZJZUOAWSMALULR-QMMMGPOBSA-N
MW258.34 g/mol
LogP0.54
Rot. Bonds4

About 6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide

6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 93081246) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
PubChem CID93081246
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC[C@H](C)O)c1C
InChIInChI=1S/C11H18N2O3S/c1-7-4-5-10(12)11(9(7)3)17(15,16)13-6-8(2)14/h4-5,8,13-14H,6,12H2,1-3H3/t8-/m0/s1
InChIKeyZJZUOAWSMALULR-QMMMGPOBSA-N
XLogP0.54
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 66177998
6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180563
6-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 65309956
3-amino-4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349
6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43258845
3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43498714
6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 61476354
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
3-amino-2,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63982653
2-[(6-amino-2,3-dimethylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106560
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide (CID 93081246) is 6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)NC[C@H](C)O)c1C.
What is the InChIKey of 6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is ZJZUOAWSMALULR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-7-4-5-10(12)11(9(7)3)17(15,16)13-6-8(2)14/h4-5,8,13-14H,6,12H2,1-3H3/t8-/m0/s1.
What are the key properties of 6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide?
6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 93081246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).