2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide

C9H16N2O4S — CID 115605620

IUPAC2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide
SMILESCC(C(=O)NC1CCC(=O)NC1)S(C)(=O)=O
InChIInChI=1S/C9H16N2O4S/c1-6(16(2,14)15)9(13)11-7-3-4-8(12)10-5-7/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyDSPKPLHOHSWQQX-UHFFFAOYSA-N
MW248.30 g/mol
LogP-1.19
Rot. Bonds3

About 2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide

2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide (PubChem CID 115605620) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide
PubChem CID115605620
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide
SMILESCC(C(=O)NC1CCC(=O)NC1)S(C)(=O)=O
InChIInChI=1S/C9H16N2O4S/c1-6(16(2,14)15)9(13)11-7-3-4-8(12)10-5-7/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyDSPKPLHOHSWQQX-UHFFFAOYSA-N
XLogP-1.19
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
2-carbamothioyl-3-methyl-N-(6-oxopiperidin-3-yl)butanamide
CID 63661590
1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea
CID 78916658
2-amino-N-(6-oxopiperidin-3-yl)pentanamide
CID 63661228
2-(carbamoylamino)-3-methyl-N-(6-oxopiperidin-3-yl)pentanamide
CID 63373433
2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide
CID 63374613
5-oxo-N-(6-oxopiperidin-3-yl)-1-propan-2-ylpyrrolidine-3-carboxamide
CID 62896987
2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 154775634
1-methyl-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 78953464
1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea
CID 78917410
3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 55233082

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide (CID 115605620) is 2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide is CC(C(=O)NC1CCC(=O)NC1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide?
The InChIKey is DSPKPLHOHSWQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-6(16(2,14)15)9(13)11-7-3-4-8(12)10-5-7/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide?
2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide has a molecular weight of 248.30 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 115605620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).