(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine

C14H24N4O3S — CID 124948100

IUPAC(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
SMILESCc1cnc([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)[nH]1
InChIInChI=1S/C14H24N4O3S/c1-11-9-15-14(16-11)13-10-17(7-8-21-13)12-3-5-18(6-4-12)22(2,19)20/h9,12-13H,3-8,10H2,1-2H3,(H,15,16)/t13-/m1/s1
InChIKeyCKMSPNKVPGQEGQ-CYBMUJFWSA-N
MW328.44 g/mol
LogP0.52
Rot. Bonds3

About (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine

(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine (PubChem CID 124948100) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
PubChem CID124948100
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
SMILESCc1cnc([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)[nH]1
InChIInChI=1S/C14H24N4O3S/c1-11-9-15-14(16-11)13-10-17(7-8-21-13)12-3-5-18(6-4-12)22(2,19)20/h9,12-13H,3-8,10H2,1-2H3,(H,15,16)/t13-/m1/s1
InChIKeyCKMSPNKVPGQEGQ-CYBMUJFWSA-N
XLogP0.52
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine?
The IUPAC name of (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine (CID 124948100) is (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine.
What is the SMILES notation for (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine?
The canonical SMILES for (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine is Cc1cnc([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)[nH]1.
What is the InChIKey of (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine?
The InChIKey is CKMSPNKVPGQEGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-11-9-15-14(16-11)13-10-17(7-8-21-13)12-3-5-18(6-4-12)22(2,19)20/h9,12-13H,3-8,10H2,1-2H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine?
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine has a molecular weight of 328.44 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine is sourced from PubChem (CID 124948100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).