2-(methanesulfonamido)pentanoic acid

C6H13NO4S — CID 19933230

IUPAC2-(methanesulfonamido)pentanoic acid
SMILESCCCC(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-3-4-5(6(8)9)7-12(2,10)11/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeySPVXYNGBSVFQEJ-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.21
Rot. Bonds5

About 2-(methanesulfonamido)pentanoic acid

2-(methanesulfonamido)pentanoic acid (PubChem CID 19933230) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(methanesulfonamido)pentanoic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)pentanoic acid
PubChem CID19933230
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-(methanesulfonamido)pentanoic acid
SMILESCCCC(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-3-4-5(6(8)9)7-12(2,10)11/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeySPVXYNGBSVFQEJ-UHFFFAOYSA-N
XLogP-0.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methanesulfonamidopropanoic acid
CID 13443844
(2S)-2-methanesulfonamido-3-methylbutanoic acid
CID 10921435
1,1-Dioxo-1,2-thiazinane-3-carboxylic acid
CID 59854248
2-Methanesulfonamido-4-methylpentanoic acid
CID 4961715
N-(Methylsulfonyl)-L-alanine
CID 7446978
N6-(Methylsulfonyl)-L-lysine
CID 16067008
2-Amino-5-sulfopentanoic acid
CID 85801360
2-Amino-4-(methylsulfamoyl)butanoic acid
CID 312381
6-(Methanesulfonamido)hexanoic acid
CID 3125359
(2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid
CID 28606706
(2S)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid
CID 28606710
(2S,3S)-2-(difluoromethylsulfonylamino)-3-methylpentanoic acid
CID 28606784

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)pentanoic acid?
The IUPAC name of 2-(methanesulfonamido)pentanoic acid (CID 19933230) is 2-(methanesulfonamido)pentanoic acid.
What is the SMILES notation for 2-(methanesulfonamido)pentanoic acid?
The canonical SMILES for 2-(methanesulfonamido)pentanoic acid is CCCC(NS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-(methanesulfonamido)pentanoic acid?
The InChIKey is SPVXYNGBSVFQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-3-4-5(6(8)9)7-12(2,10)11/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(methanesulfonamido)pentanoic acid?
2-(methanesulfonamido)pentanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)pentanoic acid is sourced from PubChem (CID 19933230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).