4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide

C13H20N2O3S — CID 104872021

IUPAC4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
SMILESCOC1CC(NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C13H20N2O3S/c1-18-12-8-11(9-12)15-7-6-10-2-4-13(5-3-10)19(14,16)17/h2-5,11-12,15H,6-9H2,1H3,(H2,14,16,17)
InChIKeyUGCLLBDPFTZXFE-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.64
Rot. Bonds6

About 4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide

4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide (PubChem CID 104872021) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
PubChem CID104872021
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
SMILESCOC1CC(NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C13H20N2O3S/c1-18-12-8-11(9-12)15-7-6-10-2-4-13(5-3-10)19(14,16)17/h2-5,11-12,15H,6-9H2,1H3,(H2,14,16,17)
InChIKeyUGCLLBDPFTZXFE-UHFFFAOYSA-N
XLogP0.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
CID 106821257
4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
CID 104600653
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
2-[(3-methoxycyclobutyl)amino]ethanesulfonamide
CID 106821299
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64760901
4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide
CID 114816625

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide (CID 104872021) is 4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide is COC1CC(NCCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide?
The InChIKey is UGCLLBDPFTZXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-12-8-11(9-12)15-7-6-10-2-4-13(5-3-10)19(14,16)17/h2-5,11-12,15H,6-9H2,1H3,(H2,14,16,17).
What are the key properties of 4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide?
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 104872021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).