(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid

C9H19NO4S — CID 42256033

IUPAC(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
SMILESCCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-4-5-15(13,14)10-8(9(11)12)6-7(2)3/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyYLMFVKALSCMEKL-QMMMGPOBSA-N
MW237.32 g/mol
LogP0.82
Rot. Bonds7

About (2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid

(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid (PubChem CID 42256033) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is (2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
PubChem CID42256033
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
SMILESCCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-4-5-15(13,14)10-8(9(11)12)6-7(2)3/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyYLMFVKALSCMEKL-QMMMGPOBSA-N
XLogP0.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid
CID 122069291
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83068023
(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
ethyl 2-(3-chloropropylsulfonylamino)-4-methylpentanoate
CID 163488373
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
(2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid
CID 122069192

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid (CID 42256033) is (2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid is CCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid?
The InChIKey is YLMFVKALSCMEKL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-5-15(13,14)10-8(9(11)12)6-7(2)3/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid?
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid is sourced from PubChem (CID 42256033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).