(2S)-2-(butylsulfonylamino)pentanoic acid

C9H19NO4S — CID 93252473

IUPAC(2S)-2-(butylsulfonylamino)pentanoic acid
SMILESCCCCS(=O)(=O)N[C@@H](CCC)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-3-5-7-15(13,14)10-8(6-4-2)9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyIZFKKTKUQXUYAL-QMMMGPOBSA-N
MW237.32 g/mol
LogP0.96
Rot. Bonds8

About (2S)-2-(butylsulfonylamino)pentanoic acid

(2S)-2-(butylsulfonylamino)pentanoic acid (PubChem CID 93252473) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is (2S)-2-(butylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(butylsulfonylamino)pentanoic acid
PubChem CID93252473
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name(2S)-2-(butylsulfonylamino)pentanoic acid
SMILESCCCCS(=O)(=O)N[C@@H](CCC)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-3-5-7-15(13,14)10-8(6-4-2)9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyIZFKKTKUQXUYAL-QMMMGPOBSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
CID 104934822
(2S)-6-amino-2-(dodecylsulfonylamino)hexanoic acid
CID 22878838
(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid
CID 107564884
(2S)-2-(3,3,3-trifluoropropylsulfonylamino)hexanoic acid
CID 122070574
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid
CID 107145097
benzene;2-(methanesulfonamido)pentanoic acid
CID 68896483
methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate
CID 93038199
methyl 3-amino-2-(butylsulfonylamino)propanoate
CID 19066399
methyl (2S)-3-amino-2-(butylsulfonylamino)propanoate
CID 10752421
(2S)-2-(butylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18654134
2-(butylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10520024

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(butylsulfonylamino)pentanoic acid?
The IUPAC name of (2S)-2-(butylsulfonylamino)pentanoic acid (CID 93252473) is (2S)-2-(butylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(butylsulfonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(butylsulfonylamino)pentanoic acid is CCCCS(=O)(=O)N[C@@H](CCC)C(=O)O.
What is the InChIKey of (2S)-2-(butylsulfonylamino)pentanoic acid?
The InChIKey is IZFKKTKUQXUYAL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-3-5-7-15(13,14)10-8(6-4-2)9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-(butylsulfonylamino)pentanoic acid?
(2S)-2-(butylsulfonylamino)pentanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(butylsulfonylamino)pentanoic acid is sourced from PubChem (CID 93252473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).