4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine

C15H26N4O2S — CID 124997678

IUPAC4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine
SMILESCc1cn(C)c([C@@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)n1
InChIInChI=1S/C15H26N4O2S/c1-12-10-17(2)15(16-12)13-4-7-18(11-13)14-5-8-19(9-6-14)22(3,20)21/h10,13-14H,4-9,11H2,1-3H3/t13-/m1/s1
InChIKeyRCBKZXNKHKVWMI-CYBMUJFWSA-N
MW326.47 g/mol
LogP0.94
Rot. Bonds3

About 4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine

4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine (PubChem CID 124997678) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine
PubChem CID124997678
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine
SMILESCc1cn(C)c([C@@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)n1
InChIInChI=1S/C15H26N4O2S/c1-12-10-17(2)15(16-12)13-4-7-18(11-13)14-5-8-19(9-6-14)22(3,20)21/h10,13-14H,4-9,11H2,1-3H3/t13-/m1/s1
InChIKeyRCBKZXNKHKVWMI-CYBMUJFWSA-N
XLogP0.94
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine (CID 124997678) is 4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine is Cc1cn(C)c([C@@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)n1.
What is the InChIKey of 4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine?
The InChIKey is RCBKZXNKHKVWMI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12-10-17(2)15(16-12)13-4-7-18(11-13)14-5-8-19(9-6-14)22(3,20)21/h10,13-14H,4-9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine?
4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine has a molecular weight of 326.47 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 124997678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).