2-[(3-methoxycyclobutyl)amino]ethanesulfonamide

C7H16N2O3S — CID 106821299

IUPAC2-[(3-methoxycyclobutyl)amino]ethanesulfonamide
SMILESCOC1CC(NCCS(N)(=O)=O)C1
InChIInChI=1S/C7H16N2O3S/c1-12-7-4-6(5-7)9-2-3-13(8,10)11/h6-7,9H,2-5H2,1H3,(H2,8,10,11)
InChIKeyACLZPAYOCUYOQH-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.96
Rot. Bonds5

About 2-[(3-methoxycyclobutyl)amino]ethanesulfonamide

2-[(3-methoxycyclobutyl)amino]ethanesulfonamide (PubChem CID 106821299) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-[(3-methoxycyclobutyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-methoxycyclobutyl)amino]ethanesulfonamide
PubChem CID106821299
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-[(3-methoxycyclobutyl)amino]ethanesulfonamide
SMILESCOC1CC(NCCS(N)(=O)=O)C1
InChIInChI=1S/C7H16N2O3S/c1-12-7-4-6(5-7)9-2-3-13(8,10)11/h6-7,9H,2-5H2,1H3,(H2,8,10,11)
InChIKeyACLZPAYOCUYOQH-UHFFFAOYSA-N
XLogP-0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104870848
N-hexyl-3-methoxycyclobutan-1-amine
CID 104870767
2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide
CID 81466039
3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide
CID 64750648
5-[(3-methoxycyclobutyl)amino]pentan-1-ol
CID 107316808
2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
CID 43635604
3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide
CID 106821612
2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide
CID 114384873
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
CID 79462833
3-methoxy-N-pent-4-ynylcyclobutan-1-amine
CID 104871850
N-(2-cyclopentyloxyethyl)-3-methoxycyclobutan-1-amine
CID 104871151

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclobutyl)amino]ethanesulfonamide?
The IUPAC name of 2-[(3-methoxycyclobutyl)amino]ethanesulfonamide (CID 106821299) is 2-[(3-methoxycyclobutyl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-methoxycyclobutyl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(3-methoxycyclobutyl)amino]ethanesulfonamide is COC1CC(NCCS(N)(=O)=O)C1.
What is the InChIKey of 2-[(3-methoxycyclobutyl)amino]ethanesulfonamide?
The InChIKey is ACLZPAYOCUYOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-12-7-4-6(5-7)9-2-3-13(8,10)11/h6-7,9H,2-5H2,1H3,(H2,8,10,11).
What are the key properties of 2-[(3-methoxycyclobutyl)amino]ethanesulfonamide?
2-[(3-methoxycyclobutyl)amino]ethanesulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclobutyl)amino]ethanesulfonamide is sourced from PubChem (CID 106821299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).