(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid

C11H22N2O4S — CID 61173835

IUPAC(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
SMILESCCC(C)[C@H](NS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-3-9(2)10(11(14)15)12-18(16,17)13-7-5-4-6-8-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyMBEAXHCOQZCPQE-AXDSSHIGSA-N
MW278.37 g/mol
LogP0.81
Rot. Bonds6

About (2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid

(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid (PubChem CID 61173835) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is (2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
PubChem CID61173835
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
SMILESCCC(C)[C@H](NS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-3-9(2)10(11(14)15)12-18(16,17)13-7-5-4-6-8-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyMBEAXHCOQZCPQE-AXDSSHIGSA-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,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783815
2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977898
N-(3-oxopentan-2-yl)azepane-1-sulfonamide
CID 64994212
diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate
CID 43431744
methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid (CID 61173835) is (2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid is CCC(C)[C@H](NS(=O)(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid?
The InChIKey is MBEAXHCOQZCPQE-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-9(2)10(11(14)15)12-18(16,17)13-7-5-4-6-8-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t9?,10-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid?
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)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 (2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid is sourced from PubChem (CID 61173835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).