3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide

C14H19N3O2S2 — CID 104585100

IUPAC3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
SMILESCC(CNC(C)c1cccc(S(N)(=O)=O)c1)c1nccs1
InChIInChI=1S/C14H19N3O2S2/c1-10(14-16-6-7-20-14)9-17-11(2)12-4-3-5-13(8-12)21(15,18)19/h3-8,10-11,17H,9H2,1-2H3,(H2,15,18,19)
InChIKeyUBUGUNPWDAFLJO-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.24
Rot. Bonds6

About 3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide

3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide (PubChem CID 104585100) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
PubChem CID104585100
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
SMILESCC(CNC(C)c1cccc(S(N)(=O)=O)c1)c1nccs1
InChIInChI=1S/C14H19N3O2S2/c1-10(14-16-6-7-20-14)9-17-11(2)12-4-3-5-13(8-12)21(15,18)19/h3-8,10-11,17H,9H2,1-2H3,(H2,15,18,19)
InChIKeyUBUGUNPWDAFLJO-UHFFFAOYSA-N
XLogP2.24
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585008
N-[1-(3-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585029
N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide
CID 104584995
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 124846660
3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide
CID 60697901
3-[1-(2,2-diethoxyethylamino)ethyl]benzenesulfonamide
CID 79537992
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
N-[1-(4-methyl-3-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584889
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
CID 81398945

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide (CID 104585100) is 3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide is CC(CNC(C)c1cccc(S(N)(=O)=O)c1)c1nccs1.
What is the InChIKey of 3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide?
The InChIKey is UBUGUNPWDAFLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10(14-16-6-7-20-14)9-17-11(2)12-4-3-5-13(8-12)21(15,18)19/h3-8,10-11,17H,9H2,1-2H3,(H2,15,18,19).
What are the key properties of 3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide?
3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 104585100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).