1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide

C14H19N3O2S2 — CID 106031650

IUPAC1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide
SMILESCCCNCc1cccc(CS(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C14H19N3O2S2/c1-2-6-15-10-12-4-3-5-13(9-12)11-21(18,19)17-14-16-7-8-20-14/h3-5,7-9,15H,2,6,10-11H2,1H3,(H,16,17)
InChIKeyISLNGYOIUNNEES-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.58
Rot. Bonds8

About 1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide

1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 106031650) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide
PubChem CID106031650
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide
SMILESCCCNCc1cccc(CS(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C14H19N3O2S2/c1-2-6-15-10-12-4-3-5-13(9-12)11-21(18,19)17-14-16-7-8-20-14/h3-5,7-9,15H,2,6,10-11H2,1H3,(H,16,17)
InChIKeyISLNGYOIUNNEES-UHFFFAOYSA-N
XLogP2.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.58
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

2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031681
N-(3-methylsulfanylpropyl)-1-[3-(propylaminomethyl)phenyl]methanesulfonamide
CID 106066176
3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082573
N-(ethylsulfamoyl)-1,3-thiazol-2-amine
CID 89126853
3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71689341
3-(propylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106082065
N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 60870847
N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
CID 107360611
N-[[4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 55239074
1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001689
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099

Frequently Asked Questions

What is the IUPAC name of 1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide (CID 106031650) is 1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide is CCCNCc1cccc(CS(=O)(=O)Nc2nccs2)c1.
What is the InChIKey of 1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is ISLNGYOIUNNEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-2-6-15-10-12-4-3-5-13(9-12)11-21(18,19)17-14-16-7-8-20-14/h3-5,7-9,15H,2,6,10-11H2,1H3,(H,16,17).
What are the key properties of 1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide?
1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propylaminomethyl)phenyl]-N-(1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 106031650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).