1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine

C9H17N3O2S — CID 106721170

IUPAC1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCS(C)(=O)=O)cn1
InChIInChI=1S/C9H17N3O2S/c1-8(10)5-9-6-12(7-11-9)3-4-15(2,13)14/h6-8H,3-5,10H2,1-2H3
InChIKeyFKRGTSXSHMHFBP-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.18
Rot. Bonds5

About 1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine

1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine (PubChem CID 106721170) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
PubChem CID106721170
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCS(C)(=O)=O)cn1
InChIInChI=1S/C9H17N3O2S/c1-8(10)5-9-6-12(7-11-9)3-4-15(2,13)14/h6-8H,3-5,10H2,1-2H3
InChIKeyFKRGTSXSHMHFBP-UHFFFAOYSA-N
XLogP-0.18
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine
CID 106718661
4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
CID 106721187
1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine
CID 106721010
N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine
CID 79984944
1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
CID 106721144
[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine
CID 106718001
1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721122
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721198
1-[1-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-2-amine
CID 106721204
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
CID 106721209

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine (CID 106721170) is 1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine is CC(N)Cc1cn(CCS(C)(=O)=O)cn1.
What is the InChIKey of 1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine?
The InChIKey is FKRGTSXSHMHFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-8(10)5-9-6-12(7-11-9)3-4-15(2,13)14/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine?
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine has a molecular weight of 231.32 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).