2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide

C10H22N2O3S2 — CID 112751639

IUPAC2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide
SMILESCSC1(CNS(=O)(=O)CCOCCN)CCC1
InChIInChI=1S/C10H22N2O3S2/c1-16-10(3-2-4-10)9-12-17(13,14)8-7-15-6-5-11/h12H,2-9,11H2,1H3
InChIKeyARNQPLAXAWSJAA-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.17
Rot. Bonds9

About 2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide

2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide (PubChem CID 112751639) has the molecular formula C10H22N2O3S2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide
PubChem CID112751639
Molecular FormulaC10H22N2O3S2
Molecular Weight282.43 g/mol
Exact Mass282.11
IUPAC Name2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide
SMILESCSC1(CNS(=O)(=O)CCOCCN)CCC1
InChIInChI=1S/C10H22N2O3S2/c1-16-10(3-2-4-10)9-12-17(13,14)8-7-15-6-5-11/h12H,2-9,11H2,1H3
InChIKeyARNQPLAXAWSJAA-UHFFFAOYSA-N
XLogP0.17
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 107270941
4-amino-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 114142631
2-(2-aminoethoxy)-N-[(1-propylcyclopropyl)methyl]ethanesulfonamide
CID 112751637
3-(ethylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 114142573
N-[(1-methylsulfanylcyclobutyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106090686
3-[(1-methylsulfanylcyclohexyl)methylsulfamoyl]propanoic acid
CID 114115836
4-hydroxy-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106001860
3-(cyclopropylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 106090688
2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide
CID 106090508
N-[(1-methylsulfanylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106092414
N-[(1-methylsulfanylcyclopentyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090506
4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide
CID 106002291

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide (CID 112751639) is 2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide is CSC1(CNS(=O)(=O)CCOCCN)CCC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide?
The InChIKey is ARNQPLAXAWSJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S2/c1-16-10(3-2-4-10)9-12-17(13,14)8-7-15-6-5-11/h12H,2-9,11H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide?
2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide has a molecular weight of 282.43 g/mol, XLogP of 0.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide is sourced from PubChem (CID 112751639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).