N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide

C14H21N3O3S — CID 62212616

IUPACN-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCC2CCCCN2)cn1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)14-8-6-12(10-16-14)17-13(18)7-5-11-4-2-3-9-15-11/h6,8,10-11,15H,2-5,7,9H2,1H3,(H,17,18)
InChIKeyRPUPGFPHIIYBJJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.35
Rot. Bonds5

About N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide

N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide (PubChem CID 62212616) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide
PubChem CID62212616
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCC2CCCCN2)cn1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)14-8-6-12(10-16-14)17-13(18)7-5-11-4-2-3-9-15-11/h6,8,10-11,15H,2-5,7,9H2,1H3,(H,17,18)
InChIKeyRPUPGFPHIIYBJJ-UHFFFAOYSA-N
XLogP1.35
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
CID 62211364
N-(3-fluoro-4-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212237
5-hydroxy-N-(6-methylsulfonyl-3-pyridinyl)pentanamide
CID 79199124
N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
CID 107679893
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
CID 62210606
N-(4-ethyl-1H-pyrazol-5-yl)-3-piperidin-2-ylpropanamide
CID 104619290
3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide
CID 62813870
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321
3-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62211801
N-(2-methylpyrazol-3-yl)-3-piperidin-2-ylpropanamide
CID 62211474
3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 47037109

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide (CID 62212616) is N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide is CS(=O)(=O)c1ccc(NC(=O)CCC2CCCCN2)cn1.
What is the InChIKey of N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide?
The InChIKey is RPUPGFPHIIYBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-21(19,20)14-8-6-12(10-16-14)17-13(18)7-5-11-4-2-3-9-15-11/h6,8,10-11,15H,2-5,7,9H2,1H3,(H,17,18).
What are the key properties of N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide?
N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62212616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).