[(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone

C15H26N2O4S — CID 125422091

IUPAC[(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C15H26N2O4S/c1-12-9-14(12)15(18)16-4-2-3-13(10-16)11-22(19,20)17-5-7-21-8-6-17/h12-14H,2-11H2,1H3/t12-,13-,14-/m1/s1
InChIKeyOLIDBQBLRBRHFN-MGPQQGTHSA-N
MW330.45 g/mol
LogP0.54
Rot. Bonds4

About [(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone

[(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone (PubChem CID 125422091) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
PubChem CID125422091
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name[(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C15H26N2O4S/c1-12-9-14(12)15(18)16-4-2-3-13(10-16)11-22(19,20)17-5-7-21-8-6-17/h12-14H,2-11H2,1H3/t12-,13-,14-/m1/s1
InChIKeyOLIDBQBLRBRHFN-MGPQQGTHSA-N
XLogP0.54
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 125422110
(1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
CID 129009244
[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone
CID 122155789
(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 80661058
1-[4-(cyclobutylmethylsulfonyl)-1,4-diazepan-1-yl]ethanone
CID 71907886
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 114104218
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79760320
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 103900359

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone (CID 125422091) is [(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone is C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of [(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone?
The InChIKey is OLIDBQBLRBRHFN-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-12-9-14(12)15(18)16-4-2-3-13(10-16)11-22(19,20)17-5-7-21-8-6-17/h12-14H,2-11H2,1H3/t12-,13-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone?
[(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone has a molecular weight of 330.45 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125422091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).