5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide

C9H14N2O3S — CID 22852735

IUPAC5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc([C@H](O)CN)cc1S(N)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-6-2-3-7(8(12)5-10)4-9(6)15(11,13)14/h2-4,8,12H,5,10H2,1H3,(H2,11,13,14)/t8-/m1/s1
InChIKeyWSIYAEHTIQYJQB-MRVPVSSYSA-N
MW230.29 g/mol
LogP-0.37
Rot. Bonds3

About 5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide

5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide (PubChem CID 22852735) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide
PubChem CID22852735
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc([C@H](O)CN)cc1S(N)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-6-2-3-7(8(12)5-10)4-9(6)15(11,13)14/h2-4,8,12H,5,10H2,1H3,(H2,11,13,14)/t8-/m1/s1
InChIKeyWSIYAEHTIQYJQB-MRVPVSSYSA-N
XLogP-0.37
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide (CID 22852735) is 5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide is Cc1ccc([C@H](O)CN)cc1S(N)(=O)=O.
What is the InChIKey of 5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide?
The InChIKey is WSIYAEHTIQYJQB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-2-3-7(8(12)5-10)4-9(6)15(11,13)14/h2-4,8,12H,5,10H2,1H3,(H2,11,13,14)/t8-/m1/s1.
What are the key properties of 5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide?
5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 22852735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).