4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide

C12H18N2O3S — CID 114118595

IUPAC4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2ccc(N)c(C)c2)C1
InChIInChI=1S/C12H18N2O3S/c1-8-5-11(3-4-12(8)13)18(15,16)14-9-6-10(7-9)17-2/h3-5,9-10,14H,6-7,13H2,1-2H3
InChIKeyPKEKLSMLULYISX-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.03
Rot. Bonds4

About 4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide

4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide (PubChem CID 114118595) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
PubChem CID114118595
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2ccc(N)c(C)c2)C1
InChIInChI=1S/C12H18N2O3S/c1-8-5-11(3-4-12(8)13)18(15,16)14-9-6-10(7-9)17-2/h3-5,9-10,14H,6-7,13H2,1-2H3
InChIKeyPKEKLSMLULYISX-UHFFFAOYSA-N
XLogP1.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
CID 104600653
4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 104600641
2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 114118594
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106093079
3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 64734598
4-(cyanomethyl)-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 104600613
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 113431371
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 113288378
3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 114118203

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide (CID 114118595) is 4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide is COC1CC(NS(=O)(=O)c2ccc(N)c(C)c2)C1.
What is the InChIKey of 4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide?
The InChIKey is PKEKLSMLULYISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-5-11(3-4-12(8)13)18(15,16)14-9-6-10(7-9)17-2/h3-5,9-10,14H,6-7,13H2,1-2H3.
What are the key properties of 4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide?
4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 114118595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).