4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C13H16N4O2S2 — CID 59465914

IUPAC4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNCC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1
InChIInChI=1S/C13H16N4O2S2/c14-7-10-8-17(9-10)11-1-3-12(4-2-11)21(18,19)16-13-15-5-6-20-13/h1-6,10H,7-9,14H2,(H,15,16)
InChIKeyPADQICLGHBVVHE-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.34
Rot. Bonds5

About 4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59465914) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID59465914
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNCC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1
InChIInChI=1S/C13H16N4O2S2/c14-7-10-8-17(9-10)11-1-3-12(4-2-11)21(18,19)16-13-15-5-6-20-13/h1-6,10H,7-9,14H2,(H,15,16)
InChIKeyPADQICLGHBVVHE-UHFFFAOYSA-N
XLogP1.34
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466120
4-(2,5-dihydroxypyrrol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54037138
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465896
2-[3-fluoro-4-(iodomethyl)phenoxy]-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide
CID 89404827
4-[3-(2-aminoethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43860654
4-(3-aminoprop-1-ynyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54926490
2-(4-chloro-3-fluorophenoxy)-N-[[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]methyl]acetamide;molecular hydrogen
CID 158895854
4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90767532
4-(7,9-diamino-6,8,10-triazaspiro[4.5]deca-6,8-dien-10-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 170453995
4-[(3S)-2-oxo-3-pyrrolidin-1-ylpyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 88538161
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
4-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 980635

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59465914) is 4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is NCC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.
What is the InChIKey of 4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is PADQICLGHBVVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c14-7-10-8-17(9-10)11-1-3-12(4-2-11)21(18,19)16-13-15-5-6-20-13/h1-6,10H,7-9,14H2,(H,15,16).
What are the key properties of 4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 324.43 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59465914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).