(2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine

C13H23N3O2S — CID 97098881

IUPAC(2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine
SMILESCCCS(=O)(=O)CCN1CCCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C13H23N3O2S/c1-2-10-19(17,18)11-9-16-8-4-3-5-12(16)13-14-6-7-15-13/h6-7,12H,2-5,8-11H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyFIRQEOIDBOAUEQ-LBPRGKRZSA-N
MW285.41 g/mol
LogP1.76
Rot. Bonds6

About (2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine

(2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine (PubChem CID 97098881) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is (2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine
PubChem CID97098881
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name(2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine
SMILESCCCS(=O)(=O)CCN1CCCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C13H23N3O2S/c1-2-10-19(17,18)11-9-16-8-4-3-5-12(16)13-14-6-7-15-13/h6-7,12H,2-5,8-11H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyFIRQEOIDBOAUEQ-LBPRGKRZSA-N
XLogP1.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-propylpyrrolidin-2-yl)-1H-imidazole
CID 131110525
(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine
CID 96539033
1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 174724026
2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine
CID 126777611
2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine
CID 128510129
[(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol
CID 103857735
(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 124625332
methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 167929652
2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine
CID 106731157
(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129334154
6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 56822307

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine?
The IUPAC name of (2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine (CID 97098881) is (2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine.
What is the SMILES notation for (2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine?
The canonical SMILES for (2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine is CCCS(=O)(=O)CCN1CCCC[C@H]1c1ncc[nH]1.
What is the InChIKey of (2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine?
The InChIKey is FIRQEOIDBOAUEQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-2-10-19(17,18)11-9-16-8-4-3-5-12(16)13-14-6-7-15-13/h6-7,12H,2-5,8-11H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine?
(2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine has a molecular weight of 285.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine is sourced from PubChem (CID 97098881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).