2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid

C14H26N2O5S — CID 120515338

IUPAC2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid
SMILESCC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H26N2O5S/c1-14(2,3)12(15-22(4,20)21)13(19)16-7-5-10(6-8-16)9-11(17)18/h10,12,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyOBXNHKORFVGYGL-UHFFFAOYSA-N
MW334.44 g/mol
LogP0.66
Rot. Bonds5

About 2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid

2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid (PubChem CID 120515338) has the molecular formula C14H26N2O5S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid
PubChem CID120515338
Molecular FormulaC14H26N2O5S
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC Name2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid
SMILESCC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H26N2O5S/c1-14(2,3)12(15-22(4,20)21)13(19)16-7-5-10(6-8-16)9-11(17)18/h10,12,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyOBXNHKORFVGYGL-UHFFFAOYSA-N
XLogP0.66
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid
CID 120528076
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide
CID 97325419
2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid
CID 107472406
1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529104
2-[1-(2-propan-2-ylsulfonylacetyl)piperidin-4-yl]acetic acid
CID 119178526
2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
CID 79615163
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615447
2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid
CID 119178205
(2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 99815800
2-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]acetic acid
CID 79608808

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid (CID 120515338) is 2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid is CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid?
The InChIKey is OBXNHKORFVGYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5S/c1-14(2,3)12(15-22(4,20)21)13(19)16-7-5-10(6-8-16)9-11(17)18/h10,12,15H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid?
2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid has a molecular weight of 334.44 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 120515338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).