N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine

C13H19N5O2S — CID 131891219

IUPACN-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine
SMILESCN(Cc1ccccc1)S(=O)(=O)N(C)Cc1nncn1C
InChIInChI=1S/C13H19N5O2S/c1-16-11-14-15-13(16)10-18(3)21(19,20)17(2)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyFMGPTNRWBYAYQT-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.62
Rot. Bonds6

About N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine

N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine (PubChem CID 131891219) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine
PubChem CID131891219
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC NameN-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine
SMILESCN(Cc1ccccc1)S(=O)(=O)N(C)Cc1nncn1C
InChIInChI=1S/C13H19N5O2S/c1-16-11-14-15-13(16)10-18(3)21(19,20)17(2)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyFMGPTNRWBYAYQT-UHFFFAOYSA-N
XLogP0.62
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
CID 56712267
2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine
CID 146040289
N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide
CID 35288819
(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine
CID 97076119
2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
CID 54326605
N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine
CID 148954390
N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330452
[2-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine
CID 81317863
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62693867
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
CID 112548547
3-N-methyl-3-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine
CID 171753484

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine?
The IUPAC name of N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine (CID 131891219) is N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine.
What is the SMILES notation for N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine?
The canonical SMILES for N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine is CN(Cc1ccccc1)S(=O)(=O)N(C)Cc1nncn1C.
What is the InChIKey of N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine?
The InChIKey is FMGPTNRWBYAYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-16-11-14-15-13(16)10-18(3)21(19,20)17(2)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine?
N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine has a molecular weight of 309.40 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine is sourced from PubChem (CID 131891219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).