4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid

C11H21N3O5S — CID 64888155

IUPAC4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid
SMILESCS(=O)(=O)NC1CCN(C(=O)C(N)CCC(=O)O)CC1
InChIInChI=1S/C11H21N3O5S/c1-20(18,19)13-8-4-6-14(7-5-8)11(17)9(12)2-3-10(15)16/h8-9,13H,2-7,12H2,1H3,(H,15,16)
InChIKeyKBHPDRZQDLZWTI-UHFFFAOYSA-N
MW307.37 g/mol
LogP-1.28
Rot. Bonds6

About 4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid

4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid (PubChem CID 64888155) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid
PubChem CID64888155
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid
SMILESCS(=O)(=O)NC1CCN(C(=O)C(N)CCC(=O)O)CC1
InChIInChI=1S/C11H21N3O5S/c1-20(18,19)13-8-4-6-14(7-5-8)11(17)9(12)2-3-10(15)16/h8-9,13H,2-7,12H2,1H3,(H,15,16)
InChIKeyKBHPDRZQDLZWTI-UHFFFAOYSA-N
XLogP-1.28
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61163904
N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61164096
4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64890678
4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64887967
N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119329196
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
CID 79201762
4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid
CID 64890724
N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
CID 62474673
4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
CID 113417412
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 64895022
2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 24709913

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid (CID 64888155) is 4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid is CS(=O)(=O)NC1CCN(C(=O)C(N)CCC(=O)O)CC1.
What is the InChIKey of 4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is KBHPDRZQDLZWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-20(18,19)13-8-4-6-14(7-5-8)11(17)9(12)2-3-10(15)16/h8-9,13H,2-7,12H2,1H3,(H,15,16).
What are the key properties of 4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid?
4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 307.37 g/mol, XLogP of -1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 64888155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).