3-[1-(cyclobutylamino)ethyl]benzenesulfonamide

C12H18N2O2S — CID 62414933

IUPAC3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
SMILESCC(NC1CCC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O2S/c1-9(14-11-5-3-6-11)10-4-2-7-12(8-10)17(13,15)16/h2,4,7-9,11,14H,3,5-6H2,1H3,(H2,13,15,16)
InChIKeyZMGBIHFFXCFSMM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.54
Rot. Bonds4

About 3-[1-(cyclobutylamino)ethyl]benzenesulfonamide

3-[1-(cyclobutylamino)ethyl]benzenesulfonamide (PubChem CID 62414933) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-[1-(cyclobutylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
PubChem CID62414933
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
SMILESCC(NC1CCC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O2S/c1-9(14-11-5-3-6-11)10-4-2-7-12(8-10)17(13,15)16/h2,4,7-9,11,14H,3,5-6H2,1H3,(H2,13,15,16)
InChIKeyZMGBIHFFXCFSMM-UHFFFAOYSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 43775785
3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 62360873
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 103911013
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64907782
3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide
CID 104538405
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593537
3-[1-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]benzenesulfonamide
CID 43763469
3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
CID 115898656

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(cyclobutylamino)ethyl]benzenesulfonamide (CID 62414933) is 3-[1-(cyclobutylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(cyclobutylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(cyclobutylamino)ethyl]benzenesulfonamide is CC(NC1CCC1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(cyclobutylamino)ethyl]benzenesulfonamide?
The InChIKey is ZMGBIHFFXCFSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(14-11-5-3-6-11)10-4-2-7-12(8-10)17(13,15)16/h2,4,7-9,11,14H,3,5-6H2,1H3,(H2,13,15,16).
What are the key properties of 3-[1-(cyclobutylamino)ethyl]benzenesulfonamide?
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62414933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).