1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine

C12H21N3O2S — CID 86800960

IUPAC1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine
SMILESCS(=O)(=O)c1nccn1CCCN1CCCCC1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)12-13-6-11-15(12)10-5-9-14-7-3-2-4-8-14/h6,11H,2-5,7-10H2,1H3
InChIKeyDWGMJDUMOFUDQL-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.16
Rot. Bonds5

About 1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine

1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine (PubChem CID 86800960) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine
PubChem CID86800960
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine
SMILESCS(=O)(=O)c1nccn1CCCN1CCCCC1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)12-13-6-11-15(12)10-5-9-14-7-3-2-4-8-14/h6,11H,2-5,7-10H2,1H3
InChIKeyDWGMJDUMOFUDQL-UHFFFAOYSA-N
XLogP1.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Hexyl-3-methylimidazolium Trifluoromethanesulfonate
CID 2734247
1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
4-methyl-1'-((1-methyl-1H-imidazol-2-yl)sulfonyl)-1,4'-bipiperidine
CID 118308403
1-Methyl-2-methylsulfonylimidazole
CID 333160
1-Decyl-3-methylimidazol-3-ium;methanesulfonate
CID 76336662
1-propyl-1H-imidazole-2-sulfonyl fluoride
CID 155820087
4-((1-Methyl-1H-imidazol-2-yl)sulfonyl)piperidine
CID 71777950
2-Isopropyl-1-[(1-mesyl-4-piperidyl)methyl]imidazole
CID 71781118
N,N-dimethyl-4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidine-1-sulfonamide
CID 71800896
1-(cyclopropylsulfonyl)-4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidine
CID 71800903
4-(1-Butyl-1H-imidazol-3-ium-3-yl)butane-1-sulfonate
CID 16069366
1-Hexyl-3-methylimidazolium methanesulfonate
CID 23636462

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine?
The IUPAC name of 1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine (CID 86800960) is 1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine.
What is the SMILES notation for 1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine?
The canonical SMILES for 1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine is CS(=O)(=O)c1nccn1CCCN1CCCCC1.
What is the InChIKey of 1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine?
The InChIKey is DWGMJDUMOFUDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-18(16,17)12-13-6-11-15(12)10-5-9-14-7-3-2-4-8-14/h6,11H,2-5,7-10H2,1H3.
What are the key properties of 1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine?
1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine has a molecular weight of 271.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylsulfonylimidazol-1-yl)propyl]piperidine is sourced from PubChem (CID 86800960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).