N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine

C15H27N3O2S — CID 25282962

IUPACN-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cnc(S(C)(=O)=O)n1CC(C)C
InChIInChI=1S/C15H27N3O2S/c1-7-17(9-12(2)3)11-14-8-16-15(21(6,19)20)18(14)10-13(4)5/h8,13H,2,7,9-11H2,1,3-6H3
InChIKeyOQHQSAAVCNGOJF-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.34
Rot. Bonds8

About N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine

N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine (PubChem CID 25282962) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine
PubChem CID25282962
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cnc(S(C)(=O)=O)n1CC(C)C
InChIInChI=1S/C15H27N3O2S/c1-7-17(9-12(2)3)11-14-8-16-15(21(6,19)20)18(14)10-13(4)5/h8,13H,2,7,9-11H2,1,3-6H3
InChIKeyOQHQSAAVCNGOJF-UHFFFAOYSA-N
XLogP2.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45220137
2-(1-Methanesulfonylpyrrolidin-3-YL)-5-methyl-1-propyl-1H-imidazole
CID 110203822
4-[(1-isobutyl-1H-imidazol-5-yl)methyl]thiomorpholine 1,1-dioxide
CID 91844196
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-ylcyclohexanamine
CID 28739725
N-ethyl-2-methylsulfonyl-N-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]ethanamine
CID 126841708
1-(cyclohexylmethyl)-2-(methylsulfonyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 25273953
({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
({1-butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)isopropyl(methyl)amine
CID 25274212
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-ethyl-2-methyl-2-propen-1-amine
CID 25286988
1-[2-(isopropylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]-N-methyl-N-(2-pyrazinylmethyl)methanamine
CID 26406669
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-3-(1-pyrrolidinyl)-1-propanamine
CID 28390231

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine (CID 25282962) is N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine is C=C(C)CN(CC)Cc1cnc(S(C)(=O)=O)n1CC(C)C.
What is the InChIKey of N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine?
The InChIKey is OQHQSAAVCNGOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-7-17(9-12(2)3)11-14-8-16-15(21(6,19)20)18(14)10-13(4)5/h8,13H,2,7,9-11H2,1,3-6H3.
What are the key properties of N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine?
N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine has a molecular weight of 313.47 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 25282962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).