1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide

C11H18N2O3S — CID 65037107

IUPAC1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCC(CO)CNS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C11H18N2O3S/c1-9(7-14)6-13-17(15,16)8-10-2-4-11(12)5-3-10/h2-5,9,13-14H,6-8,12H2,1H3
InChIKeyXRVWZCTYRVUBHX-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.32
Rot. Bonds6

About 1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide

1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide (PubChem CID 65037107) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide
PubChem CID65037107
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCC(CO)CNS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C11H18N2O3S/c1-9(7-14)6-13-17(15,16)8-10-2-4-11(12)5-3-10/h2-5,9,13-14H,6-8,12H2,1H3
InChIKeyXRVWZCTYRVUBHX-UHFFFAOYSA-N
XLogP0.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036872
1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 61109652
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
CID 115324575
4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036761
1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide
CID 97087544
1-hydroxy-2-methyl-3-(sulfamoylamino)propane
CID 112689052
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide
CID 95635513
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfonylmethyl)benzamide
CID 65031706
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide (CID 65037107) is 1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide is CC(CO)CNS(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide?
The InChIKey is XRVWZCTYRVUBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9(7-14)6-13-17(15,16)8-10-2-4-11(12)5-3-10/h2-5,9,13-14H,6-8,12H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide?
1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 65037107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).