N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine

C9H18N4O2S — CID 106732104

IUPACN-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine
SMILESCNCc1ncn(CCS(=O)(=O)C(C)C)n1
InChIInChI=1S/C9H18N4O2S/c1-8(2)16(14,15)5-4-13-7-11-9(12-13)6-10-3/h7-8,10H,4-6H2,1-3H3
InChIKeyTYMWSPSVABKJHT-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.18
Rot. Bonds6

About N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine

N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 106732104) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID106732104
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine
SMILESCNCc1ncn(CCS(=O)(=O)C(C)C)n1
InChIInChI=1S/C9H18N4O2S/c1-8(2)16(14,15)5-4-13-7-11-9(12-13)6-10-3/h7-8,10H,4-6H2,1-3H3
InChIKeyTYMWSPSVABKJHT-UHFFFAOYSA-N
XLogP-0.18
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 106732111
N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine
CID 106717648
N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine
CID 106734742
1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 103413590
3-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrazole
CID 106735199
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 103015801
2-methoxy-N-[[1-(2-propan-2-ylsulfonylethyl)pyrazol-3-yl]methyl]ethanamine
CID 106732070
2-methoxy-N-[[1-(2-propylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 106732128
1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonyl chloride
CID 106728488
[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine
CID 106729373
N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine
CID 106722446
1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole
CID 103882779

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine (CID 106732104) is N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine is CNCc1ncn(CCS(=O)(=O)C(C)C)n1.
What is the InChIKey of N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is TYMWSPSVABKJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-8(2)16(14,15)5-4-13-7-11-9(12-13)6-10-3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine?
N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 246.34 g/mol, XLogP of -0.18, 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-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 106732104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).