2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine

C13H25N3O2S — CID 106717713

IUPAC2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCCS(=O)(=O)CCn1ccnc1CNCC(C)C
InChIInChI=1S/C13H25N3O2S/c1-4-8-19(17,18)9-7-16-6-5-15-13(16)11-14-10-12(2)3/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyWDUSTWFBNMNESU-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.45
Rot. Bonds9

About 2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine (PubChem CID 106717713) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
PubChem CID106717713
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCCS(=O)(=O)CCn1ccnc1CNCC(C)C
InChIInChI=1S/C13H25N3O2S/c1-4-8-19(17,18)9-7-16-6-5-15-13(16)11-14-10-12(2)3/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyWDUSTWFBNMNESU-UHFFFAOYSA-N
XLogP1.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine (CID 106717713) is 2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine is CCCS(=O)(=O)CCn1ccnc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is WDUSTWFBNMNESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-4-8-19(17,18)9-7-16-6-5-15-13(16)11-14-10-12(2)3/h5-6,12,14H,4,7-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106717713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).