1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one

C17H30N4O3S — CID 45204959

IUPAC1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one
SMILESCCN1CC(CN(C)Cc2cnc(S(C)(=O)=O)n2CC(C)C)CC1=O
InChIInChI=1S/C17H30N4O3S/c1-6-20-11-14(7-16(20)22)10-19(4)12-15-8-18-17(25(5,23)24)21(15)9-13(2)3/h8,13-14H,6-7,9-12H2,1-5H3
InChIKeyYWHRNEMXIGLBMZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.24
Rot. Bonds8

About 1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one

1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one (PubChem CID 45204959) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one
PubChem CID45204959
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC Name1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one
SMILESCCN1CC(CN(C)Cc2cnc(S(C)(=O)=O)n2CC(C)C)CC1=O
InChIInChI=1S/C17H30N4O3S/c1-6-20-11-14(7-16(20)22)10-19(4)12-15-8-18-17(25(5,23)24)21(15)9-13(2)3/h8,13-14H,6-7,9-12H2,1-5H3
InChIKeyYWHRNEMXIGLBMZ-UHFFFAOYSA-N
XLogP1.24
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-L-prolinamide
CID 25273965
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-3-(1-pyrrolidinyl)-1-propanamine
CID 28390231
(3S)-1-isobutyl-4-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-methyl-2-piperazinone
CID 42098285
(cyclopropylmethyl){[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}propylamine
CID 42289450
1-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-4-(1-piperidinylcarbonyl)piperidine
CID 42520757
5-{[{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}(isopropyl)amino]methyl}-2-pyrrolidinone
CID 45170410
N-[(1-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)methyl]acetamide
CID 45190169
N,N-diethyl-1-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-pyrrolidinamine
CID 45191314
1-[(1-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)methyl]-2-pyrrolidinone
CID 45202394
1-[(1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)methyl]-2-pyrrolidinone
CID 45224517
(4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
CID 54202652
3-Ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
CID 67669350

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one (CID 45204959) is 1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one is CCN1CC(CN(C)Cc2cnc(S(C)(=O)=O)n2CC(C)C)CC1=O.
What is the InChIKey of 1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is YWHRNEMXIGLBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-6-20-11-14(7-16(20)22)10-19(4)12-15-8-18-17(25(5,23)24)21(15)9-13(2)3/h8,13-14H,6-7,9-12H2,1-5H3.
What are the key properties of 1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one?
1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 370.52 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45204959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).