6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide

C14H20N2O5S — CID 125160476

IUPAC6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC[C@@H]2CCCN(S(C)(=O)=O)C2)o1
InChIInChI=1S/C14H20N2O5S/c1-10-6-12(17)7-13(21-10)14(18)15-8-11-4-3-5-16(9-11)22(2,19)20/h6-7,11H,3-5,8-9H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyBZOZXLURPZPHNB-NSHDSACASA-N
MW328.39 g/mol
LogP0.35
Rot. Bonds4

About 6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide

6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide (PubChem CID 125160476) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
PubChem CID125160476
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC[C@@H]2CCCN(S(C)(=O)=O)C2)o1
InChIInChI=1S/C14H20N2O5S/c1-10-6-12(17)7-13(21-10)14(18)15-8-11-4-3-5-16(9-11)22(2,19)20/h6-7,11H,3-5,8-9H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyBZOZXLURPZPHNB-NSHDSACASA-N
XLogP0.35
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 118791684
6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 91777956
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-pyridin-4-ylbenzamide
CID 118787590
6-methyl-N-[[(3S)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160463
4-[(1-methylsulfonylpiperidin-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 77078744
N-[(5-methylfuran-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79610199
N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
CID 42355799
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79609475
7-fluoro-3-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 99932580
1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide
CID 74235390
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 125157866
1-(4-chloro-2-ethylphenyl)-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 126445081

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide (CID 125160476) is 6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NC[C@@H]2CCCN(S(C)(=O)=O)C2)o1.
What is the InChIKey of 6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The InChIKey is BZOZXLURPZPHNB-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-10-6-12(17)7-13(21-10)14(18)15-8-11-4-3-5-16(9-11)22(2,19)20/h6-7,11H,3-5,8-9H2,1-2H3,(H,15,18)/t11-/m0/s1.
What are the key properties of 6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 125160476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).