(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine

C12H20N4O3S — CID 125018734

IUPAC(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine
SMILESCc1cnc([C@@H]2COCCN2S(=O)(=O)N2CCCC2)[nH]1
InChIInChI=1S/C12H20N4O3S/c1-10-8-13-12(14-10)11-9-19-7-6-16(11)20(17,18)15-4-2-3-5-15/h8,11H,2-7,9H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyXRAGUYXWRAACKS-NSHDSACASA-N
MW300.38 g/mol
LogP0.43
Rot. Bonds3

About (3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine

(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine (PubChem CID 125018734) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is (3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine.

Molecular Properties

Compound Name(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine
PubChem CID125018734
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine
SMILESCc1cnc([C@@H]2COCCN2S(=O)(=O)N2CCCC2)[nH]1
InChIInChI=1S/C12H20N4O3S/c1-10-8-13-12(14-10)11-9-19-7-6-16(11)20(17,18)15-4-2-3-5-15/h8,11H,2-7,9H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyXRAGUYXWRAACKS-NSHDSACASA-N
XLogP0.43
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine?
The IUPAC name of (3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine (CID 125018734) is (3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine.
What is the SMILES notation for (3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine?
The canonical SMILES for (3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine is Cc1cnc([C@@H]2COCCN2S(=O)(=O)N2CCCC2)[nH]1.
What is the InChIKey of (3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine?
The InChIKey is XRAGUYXWRAACKS-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-10-8-13-12(14-10)11-9-19-7-6-16(11)20(17,18)15-4-2-3-5-15/h8,11H,2-7,9H2,1H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine?
(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine has a molecular weight of 300.38 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine is sourced from PubChem (CID 125018734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).