3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide

C15H24N2O2S — CID 103911381

IUPAC3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide
SMILESCCCC1(CNC(C)c2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-7-15(8-9-15)11-17-12(2)13-5-4-6-14(10-13)20(16,18)19/h4-6,10,12,17H,3,7-9,11H2,1-2H3,(H2,16,18,19)
InChIKeyPHKSVXJEQUGCNI-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.56
Rot. Bonds7

About 3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide

3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide (PubChem CID 103911381) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide
PubChem CID103911381
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide
SMILESCCCC1(CNC(C)c2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-7-15(8-9-15)11-17-12(2)13-5-4-6-14(10-13)20(16,18)19/h4-6,10,12,17H,3,7-9,11H2,1-2H3,(H2,16,18,19)
InChIKeyPHKSVXJEQUGCNI-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
CID 115898656
3-[1-(2,2-diethoxyethylamino)ethyl]benzenesulfonamide
CID 79537992
3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 103910598
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
CID 115574935
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide (CID 103911381) is 3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide is CCCC1(CNC(C)c2cccc(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is PHKSVXJEQUGCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-7-15(8-9-15)11-17-12(2)13-5-4-6-14(10-13)20(16,18)19/h4-6,10,12,17H,3,7-9,11H2,1-2H3,(H2,16,18,19).
What are the key properties of 3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide?
3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 103911381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).