N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide

C16H32N2O3S — CID 69472093

IUPACN-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide
SMILESCC(C)C(C)(C)C(=O)N1CCC(N(C)S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C16H32N2O3S/c1-12(2)16(5,6)15(19)18-10-8-14(9-11-18)17(7)22(20,21)13(3)4/h12-14H,8-11H2,1-7H3
InChIKeyLEGFLRLBWUKYJX-UHFFFAOYSA-N
MW332.51 g/mol
LogP2.33
Rot. Bonds5

About N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide

N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide (PubChem CID 69472093) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide
PubChem CID69472093
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC NameN-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide
SMILESCC(C)C(C)(C)C(=O)N1CCC(N(C)S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C16H32N2O3S/c1-12(2)16(5,6)15(19)18-10-8-14(9-11-18)17(7)22(20,21)13(3)4/h12-14H,8-11H2,1-7H3
InChIKeyLEGFLRLBWUKYJX-UHFFFAOYSA-N
XLogP2.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide?
The IUPAC name of N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide (CID 69472093) is N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide is CC(C)C(C)(C)C(=O)N1CCC(N(C)S(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide?
The InChIKey is LEGFLRLBWUKYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-12(2)16(5,6)15(19)18-10-8-14(9-11-18)17(7)22(20,21)13(3)4/h12-14H,8-11H2,1-7H3.
What are the key properties of N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide?
N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide has a molecular weight of 332.51 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide is sourced from PubChem (CID 69472093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).