(4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one

C22H38N4O3S — CID 26391032

IUPAC(4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one
SMILESCCCCn1c(CN(C)C[C@H]2CC(=O)N(CC)C2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C22H38N4O3S/c1-4-6-12-26-19(17-24(3)15-18-13-21(27)25(5-2)16-18)14-23-22(26)30(28,29)20-10-8-7-9-11-20/h14,18,20H,4-13,15-17H2,1-3H3/t18-/m1/s1
InChIKeyWTUKFSWINVSICP-GOSISDBHSA-N
MW438.64 g/mol
LogP3.09
Rot. Bonds10

About (4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one

(4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one (PubChem CID 26391032) has the molecular formula C22H38N4O3S and a molecular weight of 438.64 g/mol. Its IUPAC name is (4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one
PubChem CID26391032
Molecular FormulaC22H38N4O3S
Molecular Weight438.64 g/mol
Exact Mass438.27
IUPAC Name(4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one
SMILESCCCCn1c(CN(C)C[C@H]2CC(=O)N(CC)C2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C22H38N4O3S/c1-4-6-12-26-19(17-24(3)15-18-13-21(27)25(5-2)16-18)14-23-22(26)30(28,29)20-10-8-7-9-11-20/h14,18,20H,4-13,15-17H2,1-3H3/t18-/m1/s1
InChIKeyWTUKFSWINVSICP-GOSISDBHSA-N
XLogP3.09
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.64
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one with MolForge

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Related Compounds

({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-L-prolinamide
CID 25273965
1-acetyl-4-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-1,4-diazepane
CID 25274489
4-({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)-1,4-diazepane-1-carbaldehyde
CID 28230573
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-3-(1-pyrrolidinyl)-1-propanamine
CID 28390231
({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)isopropyl(methyl)amine
CID 42195234
1-butyl-2-[(4-methylpentyl)sulfonyl]-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 42460981
1-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-L-prolinamide
CID 42509391
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
1-[(1-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)methyl]-2-pyrrolidinone
CID 45202394
1-ethyl-4-{[{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}(methyl)amino]methyl}-2-pyrrolidinone
CID 45204959

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one (CID 26391032) is (4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one is CCCCn1c(CN(C)C[C@H]2CC(=O)N(CC)C2)cnc1S(=O)(=O)C1CCCCC1.
What is the InChIKey of (4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one?
The InChIKey is WTUKFSWINVSICP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H38N4O3S/c1-4-6-12-26-19(17-24(3)15-18-13-21(27)25(5-2)16-18)14-23-22(26)30(28,29)20-10-8-7-9-11-20/h14,18,20H,4-13,15-17H2,1-3H3/t18-/m1/s1.
What are the key properties of (4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one?
(4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one has a molecular weight of 438.64 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 26391032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).