N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine

C17H32N4O3S — CID 45191314

IUPACN,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(Cc2cnc(S(C)(=O)=O)n2CCCOC)C1
InChIInChI=1S/C17H32N4O3S/c1-5-20(6-2)15-8-10-19(13-15)14-16-12-18-17(25(4,22)23)21(16)9-7-11-24-3/h12,15H,5-11,13-14H2,1-4H3
InChIKeyVJEZYDXBDFDWJJ-UHFFFAOYSA-N
MW372.54 g/mol
LogP1.24
Rot. Bonds10

About N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine

N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine (PubChem CID 45191314) has the molecular formula C17H32N4O3S and a molecular weight of 372.54 g/mol. Its IUPAC name is N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine
PubChem CID45191314
Molecular FormulaC17H32N4O3S
Molecular Weight372.54 g/mol
Exact Mass372.22
IUPAC NameN,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(Cc2cnc(S(C)(=O)=O)n2CCCOC)C1
InChIInChI=1S/C17H32N4O3S/c1-5-20(6-2)15-8-10-19(13-15)14-16-12-18-17(25(4,22)23)21(16)9-7-11-24-3/h12,15H,5-11,13-14H2,1-4H3
InChIKeyVJEZYDXBDFDWJJ-UHFFFAOYSA-N
XLogP1.24
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine
CID 25284688
(3R)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 51635946
(3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine
CID 42196986
N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine
CID 45185255
1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine
CID 45205196
2-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 45230864
1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-methoxyethyl)piperazine
CID 30722807
1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-[(4-fluorophenoxy)methyl]piperidine
CID 45218003
ethyl (2S)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidine-2-carboxylate
CID 42197048
4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]thiomorpholine
CID 25278404
1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine
CID 31016672
3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 42196657

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine (CID 45191314) is N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine is CCN(CC)C1CCN(Cc2cnc(S(C)(=O)=O)n2CCCOC)C1.
What is the InChIKey of N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine?
The InChIKey is VJEZYDXBDFDWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3S/c1-5-20(6-2)15-8-10-19(13-15)14-16-12-18-17(25(4,22)23)21(16)9-7-11-24-3/h12,15H,5-11,13-14H2,1-4H3.
What are the key properties of N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine?
N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine has a molecular weight of 372.54 g/mol, XLogP of 1.24, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 45191314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).