N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine

C8H16N4O2S — CID 66216457

IUPACN-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CCCS(C)(=O)=O)nn1
InChIInChI=1S/C8H16N4O2S/c1-9-6-8-7-12(11-10-8)4-3-5-15(2,13)14/h7,9H,3-6H2,1-2H3
InChIKeyQPBFZJUOHZQASU-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.57
Rot. Bonds6

About N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine

N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine (PubChem CID 66216457) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine
PubChem CID66216457
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CCCS(C)(=O)=O)nn1
InChIInChI=1S/C8H16N4O2S/c1-9-6-8-7-12(11-10-8)4-3-5-15(2,13)14/h7,9H,3-6H2,1-2H3
InChIKeyQPBFZJUOHZQASU-UHFFFAOYSA-N
XLogP-0.57
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66194438
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine
CID 79859325
3-[4-(methylaminomethyl)triazol-1-yl]propylurea
CID 156794759
3-[1-(3-methylsulfonylpropyl)triazol-4-yl]propanoic acid
CID 107460770
7-[4-(methylaminomethyl)triazol-1-yl]heptan-2-one
CID 142439684
N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine
CID 115519644
3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220688
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
1-[1-[3-(4-fluorophenoxy)propyl]triazol-4-yl]-N-methylmethanamine
CID 66216655
N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide
CID 145496803
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine (CID 66216457) is N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine is CNCc1cn(CCCS(C)(=O)=O)nn1.
What is the InChIKey of N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine?
The InChIKey is QPBFZJUOHZQASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-9-6-8-7-12(11-10-8)4-3-5-15(2,13)14/h7,9H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine?
N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine has a molecular weight of 232.31 g/mol, XLogP of -0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine is sourced from PubChem (CID 66216457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).