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

C15H28N2O4S — CID 124619633

IUPACN-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
SMILESC[C@H](CCS(C)(=O)=O)NC(=O)N1CCC([C@H]2CCCO2)CC1
InChIInChI=1S/C15H28N2O4S/c1-12(7-11-22(2,19)20)16-15(18)17-8-5-13(6-9-17)14-4-3-10-21-14/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,14-/m1/s1
InChIKeyYSJUNDVFOAZFPH-TZMCWYRMSA-N
MW332.47 g/mol
LogP1.41
Rot. Bonds5

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

N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide (PubChem CID 124619633) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
PubChem CID124619633
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC NameN-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
SMILESC[C@H](CCS(C)(=O)=O)NC(=O)N1CCC([C@H]2CCCO2)CC1
InChIInChI=1S/C15H28N2O4S/c1-12(7-11-22(2,19)20)16-15(18)17-8-5-13(6-9-17)14-4-3-10-21-14/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,14-/m1/s1
InChIKeyYSJUNDVFOAZFPH-TZMCWYRMSA-N
XLogP1.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide (CID 124619633) is N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide is C[C@H](CCS(C)(=O)=O)NC(=O)N1CCC([C@H]2CCCO2)CC1.
What is the InChIKey of N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The InChIKey is YSJUNDVFOAZFPH-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-12(7-11-22(2,19)20)16-15(18)17-8-5-13(6-9-17)14-4-3-10-21-14/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,14-/m1/s1.
What are the key properties of N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 124619633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).