1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide

C11H16N6O2S — CID 106051685

IUPAC1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide
SMILESCNCc1ccc(CS(=O)(=O)NCc2nn[nH]n2)cc1
InChIInChI=1S/C11H16N6O2S/c1-12-6-9-2-4-10(5-3-9)8-20(18,19)13-7-11-14-16-17-15-11/h2-5,12-13H,6-8H2,1H3,(H,14,15,16,17)
InChIKeyNADZRGLUIGOPDT-UHFFFAOYSA-N
MW296.36 g/mol
LogP-0.46
Rot. Bonds7

About 1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide

1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide (PubChem CID 106051685) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide
PubChem CID106051685
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide
SMILESCNCc1ccc(CS(=O)(=O)NCc2nn[nH]n2)cc1
InChIInChI=1S/C11H16N6O2S/c1-12-6-9-2-4-10(5-3-9)8-20(18,19)13-7-11-14-16-17-15-11/h2-5,12-13H,6-8H2,1H3,(H,14,15,16,17)
InChIKeyNADZRGLUIGOPDT-UHFFFAOYSA-N
XLogP-0.46
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
CID 106051448
1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410779
5-(ethylaminomethyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106051487
N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine
CID 114810044
4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62157363
N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106020217
N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106055972
1-[4-(methylaminomethyl)phenyl]-N-(4-methylsulfanylbutyl)methanesulfonamide
CID 106078230
4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720169
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
N-(2H-tetrazol-5-ylmethyl)cyclopropanesulfonamide
CID 64553492
3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106504713

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide (CID 106051685) is 1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide is CNCc1ccc(CS(=O)(=O)NCc2nn[nH]n2)cc1.
What is the InChIKey of 1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide?
The InChIKey is NADZRGLUIGOPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-12-6-9-2-4-10(5-3-9)8-20(18,19)13-7-11-14-16-17-15-11/h2-5,12-13H,6-8H2,1H3,(H,14,15,16,17).
What are the key properties of 1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide?
1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide has a molecular weight of 296.36 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106051685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).