3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide

C12H24N2O3S — CID 54895477

IUPAC3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCS(C)(=O)=O)C1CCNCC1
InChIInChI=1S/C12H24N2O3S/c1-3-9-14(11-4-7-13-8-5-11)12(15)6-10-18(2,16)17/h11,13H,3-10H2,1-2H3
InChIKeyOVCRFZUIGGBZBZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.41
Rot. Bonds6

About 3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide

3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide (PubChem CID 54895477) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide
PubChem CID54895477
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCS(C)(=O)=O)C1CCNCC1
InChIInChI=1S/C12H24N2O3S/c1-3-9-14(11-4-7-13-8-5-11)12(15)6-10-18(2,16)17/h11,13H,3-10H2,1-2H3
InChIKeyOVCRFZUIGGBZBZ-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-N-propylhexanamide
CID 60807623
N-methyl-3-methylsulfonyl-N-piperidin-4-ylpropanamide
CID 61003895
N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide
CID 119823717
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
CID 54942745
3,3,3-trifluoro-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824721
3-ethyl-N-piperidin-4-yl-N-propylpentanamide;hydrochloride
CID 119824289
ethane;2-(4-methylsulfonylphenyl)-N-piperidin-4-yl-N-propylacetamide;hydrate
CID 142910553
N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride
CID 119824316
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
CID 62935444
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide?
The IUPAC name of 3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide (CID 54895477) is 3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide.
What is the SMILES notation for 3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide?
The canonical SMILES for 3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide is CCCN(C(=O)CCS(C)(=O)=O)C1CCNCC1.
What is the InChIKey of 3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide?
The InChIKey is OVCRFZUIGGBZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-9-14(11-4-7-13-8-5-11)12(15)6-10-18(2,16)17/h11,13H,3-10H2,1-2H3.
What are the key properties of 3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide?
3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide has a molecular weight of 276.40 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide is sourced from PubChem (CID 54895477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).