3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide

C10H16N2O3S — CID 93081254

IUPAC3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC[C@H](C)O)c1
InChIInChI=1S/C10H16N2O3S/c1-7-3-9(11)5-10(4-7)16(14,15)12-6-8(2)13/h3-5,8,12-13H,6,11H2,1-2H3/t8-/m0/s1
InChIKeyIHKDORUAWVEBEQ-QMMMGPOBSA-N
MW244.32 g/mol
LogP0.24
Rot. Bonds4

About 3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide

3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide (PubChem CID 93081254) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
PubChem CID93081254
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC[C@H](C)O)c1
InChIInChI=1S/C10H16N2O3S/c1-7-3-9(11)5-10(4-7)16(14,15)12-6-8(2)13/h3-5,8,12-13H,6,11H2,1-2H3/t8-/m0/s1
InChIKeyIHKDORUAWVEBEQ-QMMMGPOBSA-N
XLogP0.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.24
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

3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43498714
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
CID 43256310
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 106125984
3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263
N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide
CID 107155364
ethyl 2-[(3-amino-5-methylphenyl)sulfonylamino]propanoate
CID 61498508
3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126072

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide (CID 93081254) is 3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC[C@H](C)O)c1.
What is the InChIKey of 3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide?
The InChIKey is IHKDORUAWVEBEQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7-3-9(11)5-10(4-7)16(14,15)12-6-8(2)13/h3-5,8,12-13H,6,11H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide?
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 93081254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).