N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide

C13H26N2O3S — CID 82182087

IUPACN-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide
SMILESCCCCN(C)C(=O)CS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C13H26N2O3S/c1-3-4-8-15(2)13(16)11-19(17,18)10-12-6-5-7-14-9-12/h12,14H,3-11H2,1-2H3
InChIKeyHNWIUVDUMHULMO-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.66
Rot. Bonds7

About N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide

N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide (PubChem CID 82182087) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide
PubChem CID82182087
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide
SMILESCCCCN(C)C(=O)CS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C13H26N2O3S/c1-3-4-8-15(2)13(16)11-19(17,18)10-12-6-5-7-14-9-12/h12,14H,3-11H2,1-2H3
InChIKeyHNWIUVDUMHULMO-UHFFFAOYSA-N
XLogP0.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[butyl(methyl)sulfamoyl]-N-methylpiperidin-3-amine
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N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide
CID 63700437
N-butyl-2-(2-cyanoethylsulfonyl)-N-methylacetamide
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1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone
CID 82182083
N-(piperidin-3-ylmethyl)-N-propyloctanamide
CID 106628397
N-butyl-N-methyl-2-piperidin-4-ylacetamide
CID 24710322
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
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N-(2-hydroxyethyl)-1-piperidin-3-yl-N-propylmethanesulfonamide
CID 54972143

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide?
The IUPAC name of N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide (CID 82182087) is N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide?
The canonical SMILES for N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide is CCCCN(C)C(=O)CS(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide?
The InChIKey is HNWIUVDUMHULMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-4-8-15(2)13(16)11-19(17,18)10-12-6-5-7-14-9-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide?
N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide has a molecular weight of 290.43 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 82182087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).