N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine

C10H21N5O2S — CID 79859325

IUPACN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine
SMILESCNCc1cn(CCN(C)CCS(C)(=O)=O)nn1
InChIInChI=1S/C10H21N5O2S/c1-11-8-10-9-15(13-12-10)5-4-14(2)6-7-18(3,16)17/h9,11H,4-8H2,1-3H3
InChIKeyVJNMOJWSERIXNY-UHFFFAOYSA-N
MW275.38 g/mol
LogP-1.03
Rot. Bonds8

About N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine

N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 79859325) has the molecular formula C10H21N5O2S and a molecular weight of 275.38 g/mol. Its IUPAC name is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine
PubChem CID79859325
Molecular FormulaC10H21N5O2S
Molecular Weight275.38 g/mol
Exact Mass275.14
IUPAC NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine
SMILESCNCc1cn(CCN(C)CCS(C)(=O)=O)nn1
InChIInChI=1S/C10H21N5O2S/c1-11-8-10-9-15(13-12-10)5-4-14(2)6-7-18(3,16)17/h9,11H,4-8H2,1-3H3
InChIKeyVJNMOJWSERIXNY-UHFFFAOYSA-N
XLogP-1.03
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine (CID 79859325) is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine is CNCc1cn(CCN(C)CCS(C)(=O)=O)nn1.
What is the InChIKey of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is VJNMOJWSERIXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2S/c1-11-8-10-9-15(13-12-10)5-4-14(2)6-7-18(3,16)17/h9,11H,4-8H2,1-3H3.
What are the key properties of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine?
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 275.38 g/mol, XLogP of -1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 79859325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).