3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine

C12H17N3O2S2 — CID 43651681

IUPAC3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCc1ccc(-c2cnc(C(N)CCS(C)(=O)=O)[nH]2)s1
InChIInChI=1S/C12H17N3O2S2/c1-8-3-4-11(18-8)10-7-14-12(15-10)9(13)5-6-19(2,16)17/h3-4,7,9H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyBAGTUIUSFQMTNB-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.88
Rot. Bonds5

About 3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine

3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 43651681) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID43651681
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCc1ccc(-c2cnc(C(N)CCS(C)(=O)=O)[nH]2)s1
InChIInChI=1S/C12H17N3O2S2/c1-8-3-4-11(18-8)10-7-14-12(15-10)9(13)5-6-19(2,16)17/h3-4,7,9H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyBAGTUIUSFQMTNB-UHFFFAOYSA-N
XLogP1.88
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(thiophen-2-yl)methyl]-1H-imidazole hydrochloride
CID 49861211
1-(4-Methanesulfonyl-phenyl)-2-thiophen-2-yl-4-trifluoromethyl-1H-imidazole
CID 11793632
N-(1H-imidazol-5-ylmethyl)-3-methylsulfonyl-N-propan-2-ylaniline
CID 59728210
4-(2-Thienyl)-1H-imidazole
CID 11423685
5-[(5-methylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 49861210
5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole
CID 90643461
4-phenyl-2-(3-thienyl)-1H-imidazole
CID 20277973
(5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 73775623
US9669029, 33 5-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128138
US9669029, 34 8-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 134128139
2-(2-Thienylmethyl)histamine
CID 10058864
5-(4-methylsulfonylphenyl)-N-octyl-1H-imidazol-2-amine
CID 56665045

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine (CID 43651681) is 3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine is Cc1ccc(-c2cnc(C(N)CCS(C)(=O)=O)[nH]2)s1.
What is the InChIKey of 3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is BAGTUIUSFQMTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-8-3-4-11(18-8)10-7-14-12(15-10)9(13)5-6-19(2,16)17/h3-4,7,9H,5-6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine?
3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 299.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 43651681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).