1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine

C10H17N3O2S — CID 155181375

IUPAC1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C10H17N3O2S/c1-16(14,15)9-2-6-13(7-3-9)8-10-11-4-5-12-10/h4-5,9H,2-3,6-8H2,1H3,(H,11,12)
InChIKeyRXTUQKVROIIFIR-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.42
Rot. Bonds3

About 1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine

1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine (PubChem CID 155181375) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine
PubChem CID155181375
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C10H17N3O2S/c1-16(14,15)9-2-6-13(7-3-9)8-10-11-4-5-12-10/h4-5,9H,2-3,6-8H2,1H3,(H,11,12)
InChIKeyRXTUQKVROIIFIR-UHFFFAOYSA-N
XLogP0.42
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
(4aR*,7aS*)-1-(cyclopropylmethyl)-4-(1H-imidazol-2-ylmethyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70708422
1-Hexyl-methylimidazolium trifluoromethanesulfonate
CID 171905299
1-Butyl sulfonate-3-methyl imidazolium
CID 87223985
1-Methylimidazolium-3-butylsulfonate
CID 129824083
1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 84586576
(2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine
CID 97098881
2-[2-(4,4-difluorobut-3-enylsulfonyl)propyl]-1H-imidazole
CID 67757666
2-butyl-3-methyl-1H-imidazol-3-ium;1,1,2,2-tetrafluoroethanesulfonate
CID 87122105
2-butyl-3-methyl-1H-imidazol-3-ium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate
CID 87122130
3-butyl-2-methyl-1H-imidazol-3-ium;1,1,2,2-tetrafluoroethanesulfonate
CID 87285141
2-hexyl-3-methyl-1H-imidazol-3-ium;1,1,2,2-tetrafluoroethanesulfonate
CID 87551236

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine (CID 155181375) is 1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine is CS(=O)(=O)C1CCN(Cc2ncc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine?
The InChIKey is RXTUQKVROIIFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-16(14,15)9-2-6-13(7-3-9)8-10-11-4-5-12-10/h4-5,9H,2-3,6-8H2,1H3,(H,11,12).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine?
1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine has a molecular weight of 243.33 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-4-methylsulfonylpiperidine is sourced from PubChem (CID 155181375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).