(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid

C9H18N2O5S — CID 104935080

IUPAC(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid
SMILESO=C(O)[C@H](CCO)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O5S/c12-7-4-8(9(13)14)10-17(15,16)11-5-2-1-3-6-11/h8,10,12H,1-7H2,(H,13,14)/t8-/m0/s1
InChIKeyRRQOZLJSPHVFQF-QMMMGPOBSA-N
MW266.32 g/mol
LogP-0.86
Rot. Bonds6

About (2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid

(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid (PubChem CID 104935080) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid
PubChem CID104935080
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid
SMILESO=C(O)[C@H](CCO)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O5S/c12-7-4-8(9(13)14)10-17(15,16)11-5-2-1-3-6-11/h8,10,12H,1-7H2,(H,13,14)/t8-/m0/s1
InChIKeyRRQOZLJSPHVFQF-QMMMGPOBSA-N
XLogP-0.86
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934949
4-methylsulfonyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43094874
2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014
4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 61244989
4-methylsulfonyl-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43110816
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
N-(1,3-dihydroxypropan-2-yl)piperidine-1-sulfonamide
CID 65314238
4-(azepan-1-ylsulfonylamino)-2-methylbutanoic acid
CID 80540504
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 122069411
5-(piperidin-1-ylsulfonylamino)hexanoic acid
CID 82854421

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid (CID 104935080) is (2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid is O=C(O)[C@H](CCO)NS(=O)(=O)N1CCCCC1.
What is the InChIKey of (2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid?
The InChIKey is RRQOZLJSPHVFQF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O5S/c12-7-4-8(9(13)14)10-17(15,16)11-5-2-1-3-6-11/h8,10,12H,1-7H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid?
(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 104935080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).