2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine

C11H22N4O2S — CID 66194438

IUPAC2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CCCS(C)(=O)=O)nn1
InChIInChI=1S/C11H22N4O2S/c1-11(2,3)12-8-10-9-15(14-13-10)6-5-7-18(4,16)17/h9,12H,5-8H2,1-4H3
InChIKeyLMBBNLXUHFDIEE-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.60
Rot. Bonds6

About 2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 66194438) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID66194438
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CCCS(C)(=O)=O)nn1
InChIInChI=1S/C11H22N4O2S/c1-11(2,3)12-8-10-9-15(14-13-10)6-5-7-18(4,16)17/h9,12H,5-8H2,1-4H3
InChIKeyLMBBNLXUHFDIEE-UHFFFAOYSA-N
XLogP0.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine
CID 66216457
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114526861
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
3-[1-(3-methylsulfonylpropyl)triazol-4-yl]propanoic acid
CID 107460770
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine
CID 62461556
2-methyl-N-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66192264
2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194003
N-[[1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62431810

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine (CID 66194438) is 2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1cn(CCCS(C)(=O)=O)nn1.
What is the InChIKey of 2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is LMBBNLXUHFDIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-11(2,3)12-8-10-9-15(14-13-10)6-5-7-18(4,16)17/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 274.39 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66194438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).