5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide

C14H22N2O4S — CID 102859186

IUPAC5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C14H22N2O4S/c1-10-8-13(20-2)14(9-12(10)15)21(18,19)16(6-7-17)11-4-3-5-11/h8-9,11,17H,3-7,15H2,1-2H3
InChIKeyYTMWPEGDCDDZQT-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.12
Rot. Bonds6

About 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide

5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 102859186) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide
PubChem CID102859186
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C14H22N2O4S/c1-10-8-13(20-2)14(9-12(10)15)21(18,19)16(6-7-17)11-4-3-5-11/h8-9,11,17H,3-7,15H2,1-2H3
InChIKeyYTMWPEGDCDDZQT-UHFFFAOYSA-N
XLogP1.12
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81440815
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide
CID 81396830
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 79973622
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859200
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962260
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 79588511
5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide
CID 79974560
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,5-dimethylbenzenesulfonamide
CID 43577817
5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61138671

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide (CID 102859186) is 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)N(CCO)C1CCC1.
What is the InChIKey of 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is YTMWPEGDCDDZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10-8-13(20-2)14(9-12(10)15)21(18,19)16(6-7-17)11-4-3-5-11/h8-9,11,17H,3-7,15H2,1-2H3.
What are the key properties of 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide?
5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 102859186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).