1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide

C13H20N2O3S — CID 114628418

IUPAC1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O3S/c1-13(2)11(7-12(13)16)15-19(17,18)8-9-4-3-5-10(14)6-9/h3-6,11-12,15-16H,7-8,14H2,1-2H3
InChIKeyUTUIDEIMPLJCTI-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.85
Rot. Bonds4

About 1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide

1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (PubChem CID 114628418) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
PubChem CID114628418
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O3S/c1-13(2)11(7-12(13)16)15-19(17,18)8-9-4-3-5-10(14)6-9/h3-6,11-12,15-16H,7-8,14H2,1-2H3
InChIKeyUTUIDEIMPLJCTI-UHFFFAOYSA-N
XLogP0.85
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.85
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

N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 55175080
N-[3-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594607
1-(3-aminophenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)methanesulfonamide
CID 105641768
N-(2-fluoro-5-methylphenyl)-4-hydroxybutane-1-sulfonamide
CID 105963912
N-(4-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide
CID 105979624
N-(3-fluoro-5-methylphenyl)-4-hydroxybutane-1-sulfonamide
CID 105986819
1-(3-aminophenyl)-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide
CID 106165813
1-(3-aminophenyl)-N-(3,3-difluoro-2-hydroxypropyl)methanesulfonamide
CID 114092918
N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide
CID 114254960
5-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzenesulfonamide
CID 114628410
3-amino-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628416
5-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628423

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (CID 114628418) is 1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The InChIKey is UTUIDEIMPLJCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2)11(7-12(13)16)15-19(17,18)8-9-4-3-5-10(14)6-9/h3-6,11-12,15-16H,7-8,14H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide is sourced from PubChem (CID 114628418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).