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

C11H22N2O6S2 — CID 43094969

IUPAC2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid
SMILESCC1CCCCN1S(=O)(=O)NC(CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H22N2O6S2/c1-9-5-3-4-7-13(9)21(18,19)12-10(11(14)15)6-8-20(2,16)17/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyIDKUBHYAMVKGHZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP-0.42
Rot. Bonds7

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

2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid (PubChem CID 43094969) has the molecular formula C11H22N2O6S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid
PubChem CID43094969
Molecular FormulaC11H22N2O6S2
Molecular Weight342.44 g/mol
Exact Mass342.09
IUPAC Name2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid
SMILESCC1CCCCN1S(=O)(=O)NC(CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H22N2O6S2/c1-9-5-3-4-7-13(9)21(18,19)12-10(11(14)15)6-8-20(2,16)17/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyIDKUBHYAMVKGHZ-UHFFFAOYSA-N
XLogP-0.42
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 81078480
4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid
CID 43210817
4-methylsulfonyl-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43110816
4-methylsulfonyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43094874
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
N-(4-hydroxypentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 113376619
3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 122067923
2-[(3-methylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61186527
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61196765
(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide
CID 124727544
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
2-[(2-cyclohexylacetyl)amino]-4-methylsulfonylbutanoic acid
CID 43107936

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid (CID 43094969) is 2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid is CC1CCCCN1S(=O)(=O)NC(CCS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid?
The InChIKey is IDKUBHYAMVKGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S2/c1-9-5-3-4-7-13(9)21(18,19)12-10(11(14)15)6-8-20(2,16)17/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid?
2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid has a molecular weight of 342.44 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid is sourced from PubChem (CID 43094969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).