1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide

C13H24N2O4S — CID 35250271

IUPAC1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1
InChIInChI=1S/C13H24N2O4S/c1-10(12-4-3-9-19-12)14-13(16)11-5-7-15(8-6-11)20(2,17)18/h10-12H,3-9H2,1-2H3,(H,14,16)/t10-,12-/m1/s1
InChIKeyKGFYLJJNARQADR-ZYHUDNBSSA-N
MW304.41 g/mol
LogP0.34
Rot. Bonds4

About 1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide (PubChem CID 35250271) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide
PubChem CID35250271
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1
InChIInChI=1S/C13H24N2O4S/c1-10(12-4-3-9-19-12)14-13(16)11-5-7-15(8-6-11)20(2,17)18/h10-12H,3-9H2,1-2H3,(H,14,16)/t10-,12-/m1/s1
InChIKeyKGFYLJJNARQADR-ZYHUDNBSSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 38311387
9-amino-N-[1-(oxolan-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985199
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
(1S,2S,3R,4R)-3-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895759
(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 120623026
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide
CID 35612991
(1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11895760
1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 4605990
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
N-[1-(oxolan-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292164
1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 46516639

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide (CID 35250271) is 1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1.
What is the InChIKey of 1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is KGFYLJJNARQADR-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-10(12-4-3-9-19-12)14-13(16)11-5-7-15(8-6-11)20(2,17)18/h10-12H,3-9H2,1-2H3,(H,14,16)/t10-,12-/m1/s1.
What are the key properties of 1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 35250271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).