4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide

C13H20N2O3S — CID 106024417

IUPAC4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide
SMILESNCCOc1ccc(S(=O)(=O)NCC2CCC2)cc1
InChIInChI=1S/C13H20N2O3S/c14-8-9-18-12-4-6-13(7-5-12)19(16,17)15-10-11-2-1-3-11/h4-7,11,15H,1-3,8-10,14H2
InChIKeyDDISLNRNOYROMS-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.10
Rot. Bonds7

About 4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide

4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide (PubChem CID 106024417) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide
PubChem CID106024417
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide
SMILESNCCOc1ccc(S(=O)(=O)NCC2CCC2)cc1
InChIInChI=1S/C13H20N2O3S/c14-8-9-18-12-4-6-13(7-5-12)19(16,17)15-10-11-2-1-3-11/h4-7,11,15H,1-3,8-10,14H2
InChIKeyDDISLNRNOYROMS-UHFFFAOYSA-N
XLogP1.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
N-(cyclobutylmethyl)-4-hydrazinylbenzenesulfonamide
CID 43455189
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)phenoxy]ethanamine
CID 115562926
4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide
CID 106075236
4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563620
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
2-[4-(cyclobutylmethylsulfamoyl)phenyl]ethanethioamide
CID 79184823
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
6-cyano-N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 115602600

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide (CID 106024417) is 4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide is NCCOc1ccc(S(=O)(=O)NCC2CCC2)cc1.
What is the InChIKey of 4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide?
The InChIKey is DDISLNRNOYROMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-8-9-18-12-4-6-13(7-5-12)19(16,17)15-10-11-2-1-3-11/h4-7,11,15H,1-3,8-10,14H2.
What are the key properties of 4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide?
4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide is sourced from PubChem (CID 106024417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).