2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole

C14H23N3O3S — CID 95780361

IUPAC2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole
SMILESCc1nccn1C[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCOC1
InChIInChI=1S/C14H23N3O3S/c1-12-15-5-7-16(12)9-14-3-2-6-17(14)21(18,19)11-13-4-8-20-10-13/h5,7,13-14H,2-4,6,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyFAKAEDKRXZKPBC-ZIAGYGMSSA-N
MW313.42 g/mol
LogP1.02
Rot. Bonds5

About 2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole

2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole (PubChem CID 95780361) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole
PubChem CID95780361
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole
SMILESCc1nccn1C[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCOC1
InChIInChI=1S/C14H23N3O3S/c1-12-15-5-7-16(12)9-14-3-2-6-17(14)21(18,19)11-13-4-8-20-10-13/h5,7,13-14H,2-4,6,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyFAKAEDKRXZKPBC-ZIAGYGMSSA-N
XLogP1.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole?
The IUPAC name of 2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole (CID 95780361) is 2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole.
What is the SMILES notation for 2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole?
The canonical SMILES for 2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole is Cc1nccn1C[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCOC1.
What is the InChIKey of 2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole?
The InChIKey is FAKAEDKRXZKPBC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12-15-5-7-16(12)9-14-3-2-6-17(14)21(18,19)11-13-4-8-20-10-13/h5,7,13-14H,2-4,6,8-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of 2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole?
2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole has a molecular weight of 313.42 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole is sourced from PubChem (CID 95780361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).