N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide

C14H26N2O4S — CID 113149668

IUPACN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESCC1CCCN(C(=O)CN(CC2CCCO2)S(C)(=O)=O)C1
InChIInChI=1S/C14H26N2O4S/c1-12-5-3-7-15(9-12)14(17)11-16(21(2,18)19)10-13-6-4-8-20-13/h12-13H,3-11H2,1-2H3
InChIKeyFUUQXYHBPPDQHY-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.69
Rot. Bonds5

About N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide

N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide (PubChem CID 113149668) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
PubChem CID113149668
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESCC1CCCN(C(=O)CN(CC2CCCO2)S(C)(=O)=O)C1
InChIInChI=1S/C14H26N2O4S/c1-12-5-3-7-15(9-12)14(17)11-16(21(2,18)19)10-13-6-4-8-20-13/h12-13H,3-11H2,1-2H3
InChIKeyFUUQXYHBPPDQHY-UHFFFAOYSA-N
XLogP0.69
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160269
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 113137944
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
2-[[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129323721
2-[[4-(cyclohexanecarbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129008288
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160273
4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 94078433
N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113137844
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137927

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide (CID 113149668) is N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide is CC1CCCN(C(=O)CN(CC2CCCO2)S(C)(=O)=O)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide?
The InChIKey is FUUQXYHBPPDQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-12-5-3-7-15(9-12)14(17)11-16(21(2,18)19)10-13-6-4-8-20-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide?
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 113149668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).