N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide

C12H24N2O4S — CID 75537886

IUPACN-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
SMILESCOCCS(=O)(=O)N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C12H24N2O4S/c1-10(2)12(15)13-11-4-6-14(7-5-11)19(16,17)9-8-18-3/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyWGXVRIGTWLMKNV-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.20
Rot. Bonds6

About N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide

N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 75537886) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID75537886
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
SMILESCOCCS(=O)(=O)N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C12H24N2O4S/c1-10(2)12(15)13-11-4-6-14(7-5-11)19(16,17)9-8-18-3/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyWGXVRIGTWLMKNV-UHFFFAOYSA-N
XLogP0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide (CID 75537886) is N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide is COCCS(=O)(=O)N1CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is WGXVRIGTWLMKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(2)12(15)13-11-4-6-14(7-5-11)19(16,17)9-8-18-3/h10-11H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 292.40 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 75537886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).