2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid

C11H22N2O4S — CID 43631191

IUPAC2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)N1CCC(C)CC1)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-3-4-10(11(14)15)12-18(16,17)13-7-5-9(2)6-8-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyFXCNEZGLAHKLCN-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.81
Rot. Bonds6

About 2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid

2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid (PubChem CID 43631191) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
PubChem CID43631191
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)N1CCC(C)CC1)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-3-4-10(11(14)15)12-18(16,17)13-7-5-9(2)6-8-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyFXCNEZGLAHKLCN-UHFFFAOYSA-N
XLogP0.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 28784048
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid
CID 43470083
4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 61244989
4-methylsulfonyl-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43110816
4-methylsulfonyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43094874
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
(2S)-5-methoxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]-5-oxopentanoic acid
CID 104935653
2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014
(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934949
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 83178467

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid (CID 43631191) is 2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)N1CCC(C)CC1)C(=O)O.
What is the InChIKey of 2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
The InChIKey is FXCNEZGLAHKLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-4-10(11(14)15)12-18(16,17)13-7-5-9(2)6-8-13/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 43631191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).