N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine

C13H25N3O2S — CID 65097886

IUPACN-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCCn1ccnc1CNC(C)(C)C
InChIInChI=1S/C13H25N3O2S/c1-5-19(17,18)10-6-8-16-9-7-14-12(16)11-15-13(2,3)4/h7,9,15H,5-6,8,10-11H2,1-4H3
InChIKeyGRHGZWLADFIRLH-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.60
Rot. Bonds7

About N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65097886) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID65097886
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCCn1ccnc1CNC(C)(C)C
InChIInChI=1S/C13H25N3O2S/c1-5-19(17,18)10-6-8-16-9-7-14-12(16)11-15-13(2,3)4/h7,9,15H,5-6,8,10-11H2,1-4H3
InChIKeyGRHGZWLADFIRLH-UHFFFAOYSA-N
XLogP1.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-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

2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667
4-[2-[(tert-butylamino)methyl]imidazol-1-yl]butanenitrile
CID 62221300
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221842
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide
CID 62325908
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
2-methyl-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-2-yl]methyl]propan-2-amine
CID 82891583
N-[[1-(ethoxymethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65369489
N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717653
N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55048482

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine (CID 65097886) is N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine is CCS(=O)(=O)CCCn1ccnc1CNC(C)(C)C.
What is the InChIKey of N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GRHGZWLADFIRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-5-19(17,18)10-6-8-16-9-7-14-12(16)11-15-13(2,3)4/h7,9,15H,5-6,8,10-11H2,1-4H3.
What are the key properties of N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65097886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).