(2S)-2-(propylsulfonylamino)propanoic acid

C6H13NO4S — CID 7130952

IUPAC(2S)-2-(propylsulfonylamino)propanoic acid
SMILESCCCS(=O)(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-3-4-12(10,11)7-5(2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyPQNOYDHNDOXIJG-YFKPBYRVSA-N
MW195.24 g/mol
LogP-0.21
Rot. Bonds5

About (2S)-2-(propylsulfonylamino)propanoic acid

(2S)-2-(propylsulfonylamino)propanoic acid (PubChem CID 7130952) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is (2S)-2-(propylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(propylsulfonylamino)propanoic acid
PubChem CID7130952
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name(2S)-2-(propylsulfonylamino)propanoic acid
SMILESCCCS(=O)(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-3-4-12(10,11)7-5(2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyPQNOYDHNDOXIJG-YFKPBYRVSA-N
XLogP-0.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
3-methyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43354101
(2R)-2-(2-methylpropylsulfonylamino)propanoic acid
CID 78995773
(2S)-2-hydroxy-3-[2-(propylsulfonylamino)propanoylamino]propanoic acid
CID 107833554
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
CID 42256033
(2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid
CID 154634481
2-[carboxymethyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid
CID 63650978
N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylsulfonylamino)propanamide
CID 43573547
(2S)-2-[2-(propylsulfonylamino)propanoylamino]pentanedioic acid
CID 61153628
2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid
CID 62697454
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propylsulfonylamino)propanamide
CID 55082542

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(propylsulfonylamino)propanoic acid?
The IUPAC name of (2S)-2-(propylsulfonylamino)propanoic acid (CID 7130952) is (2S)-2-(propylsulfonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(propylsulfonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(propylsulfonylamino)propanoic acid is CCCS(=O)(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(propylsulfonylamino)propanoic acid?
The InChIKey is PQNOYDHNDOXIJG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-3-4-12(10,11)7-5(2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-(propylsulfonylamino)propanoic acid?
(2S)-2-(propylsulfonylamino)propanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(propylsulfonylamino)propanoic acid is sourced from PubChem (CID 7130952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).