3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide

C13H20N2O2S — CID 43776526

IUPAC3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
SMILESCC(NC(C)C1CC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O2S/c1-9(11-6-7-11)15-10(2)12-4-3-5-13(8-12)18(14,16)17/h3-5,8-11,15H,6-7H2,1-2H3,(H2,14,16,17)
InChIKeyUDDUFZJBZRQGNG-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.78
Rot. Bonds5

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

3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide (PubChem CID 43776526) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
PubChem CID43776526
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
SMILESCC(NC(C)C1CC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O2S/c1-9(11-6-7-11)15-10(2)12-4-3-5-13(8-12)18(14,16)17/h3-5,8-11,15H,6-7H2,1-2H3,(H2,14,16,17)
InChIKeyUDDUFZJBZRQGNG-UHFFFAOYSA-N
XLogP1.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide
CID 103911153
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide
CID 104538405
3-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 64629789
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
CID 81398945
3-[1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 81402634
3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 62360873
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 43775785

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide (CID 43776526) is 3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide is CC(NC(C)C1CC1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide?
The InChIKey is UDDUFZJBZRQGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(11-6-7-11)15-10(2)12-4-3-5-13(8-12)18(14,16)17/h3-5,8-11,15H,6-7H2,1-2H3,(H2,14,16,17).
What are the key properties of 3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide?
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43776526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).