(3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine

C17H31N3O4S — CID 42196986

IUPAC(3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine
SMILESCCCO[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CC)n2CCOC)C1
InChIInChI=1S/C17H31N3O4S/c1-4-10-24-16-7-6-8-19(14-16)13-15-12-18-17(25(21,22)5-2)20(15)9-11-23-3/h12,16H,4-11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyIPLOSQLWQAMTAB-MRXNPFEDSA-N
MW373.52 g/mol
LogP1.71
Rot. Bonds10

About (3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine

(3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine (PubChem CID 42196986) has the molecular formula C17H31N3O4S and a molecular weight of 373.52 g/mol. Its IUPAC name is (3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine.

Molecular Properties

Compound Name(3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine
PubChem CID42196986
Molecular FormulaC17H31N3O4S
Molecular Weight373.52 g/mol
Exact Mass373.20
IUPAC Name(3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine
SMILESCCCO[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CC)n2CCOC)C1
InChIInChI=1S/C17H31N3O4S/c1-4-10-24-16-7-6-8-19(14-16)13-15-12-18-17(25(21,22)5-2)20(15)9-11-23-3/h12,16H,4-11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyIPLOSQLWQAMTAB-MRXNPFEDSA-N
XLogP1.71
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-3-propoxypiperidine
CID 42097552
1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-[(4-fluorophenoxy)methyl]piperidine
CID 45218003
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
3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 42196657
N-[[(3R)-1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 26411995
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]-4-phenylpiperazine
CID 31016672
2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 45252050
1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine
CID 45205196
4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]thiomorpholine
CID 25278404
[(3S)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26407966
[(3R)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26407964

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine?
The IUPAC name of (3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine (CID 42196986) is (3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine.
What is the SMILES notation for (3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine?
The canonical SMILES for (3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine is CCCO[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CC)n2CCOC)C1.
What is the InChIKey of (3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine?
The InChIKey is IPLOSQLWQAMTAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H31N3O4S/c1-4-10-24-16-7-6-8-19(14-16)13-15-12-18-17(25(21,22)5-2)20(15)9-11-23-3/h12,16H,4-11,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine?
(3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine has a molecular weight of 373.52 g/mol, XLogP of 1.71, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine is sourced from PubChem (CID 42196986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).