N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine

C17H31N3O2S — CID 25274212

IUPACN-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
SMILESCCCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CC1CCC1
InChIInChI=1S/C17H31N3O2S/c1-5-6-10-20-16(12-19(4)14(2)3)11-18-17(20)23(21,22)13-15-8-7-9-15/h11,14-15H,5-10,12-13H2,1-4H3
InChIKeyMHZJJIMTIUIMQA-UHFFFAOYSA-N
MW341.52 g/mol
LogP3.10
Rot. Bonds9

About N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine

N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine (PubChem CID 25274212) has the molecular formula C17H31N3O2S and a molecular weight of 341.52 g/mol. Its IUPAC name is N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
PubChem CID25274212
Molecular FormulaC17H31N3O2S
Molecular Weight341.52 g/mol
Exact Mass341.21
IUPAC NameN-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
SMILESCCCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CC1CCC1
InChIInChI=1S/C17H31N3O2S/c1-5-6-10-20-16(12-19(4)14(2)3)11-18-17(20)23(21,22)13-15-8-7-9-15/h11,14-15H,5-10,12-13H2,1-4H3
InChIKeyMHZJJIMTIUIMQA-UHFFFAOYSA-N
XLogP3.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
1-[(1-methyl-1H-imidazol-5-yl)methyl]-3-[(methylsulfonyl)methyl]piperidine
CID 77080723
4-[(1-isobutyl-1H-imidazol-5-yl)methyl]thiomorpholine 1,1-dioxide
CID 91844196
5-[(7,7-dimethyl-1,1-dioxo-1,4-thiazepan-4-yl)methyl]-N,N,1-trimethylimidazol-2-amine
CID 136548920
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
N-ethyl-N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-2-methyl-2-propen-1-amine
CID 25282962
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine (CID 25274212) is N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine is CCCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CC1CCC1.
What is the InChIKey of N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is MHZJJIMTIUIMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S/c1-5-6-10-20-16(12-19(4)14(2)3)11-18-17(20)23(21,22)13-15-8-7-9-15/h11,14-15H,5-10,12-13H2,1-4H3.
What are the key properties of N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 341.52 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 25274212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).