(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid

C14H22N2O4S — CID 122069284

IUPAC(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc(N(C)C)cc1)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-10(2)9-13(14(17)18)15-21(19,20)12-7-5-11(6-8-12)16(3)4/h5-8,10,13,15H,9H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyGVEFTIBAGVTWBT-CYBMUJFWSA-N
MW314.41 g/mol
LogP1.53
Rot. Bonds7

About (2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid

(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid (PubChem CID 122069284) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
PubChem CID122069284
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc(N(C)C)cc1)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-10(2)9-13(14(17)18)15-21(19,20)12-7-5-11(6-8-12)16(3)4/h5-8,10,13,15H,9H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyGVEFTIBAGVTWBT-CYBMUJFWSA-N
XLogP1.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
CID 61155878
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
2-[[4-(dimethylamino)phenyl]sulfonylamino]hexanoic acid
CID 122070000
2-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 119142039
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 18914695
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 42256056
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
(2S)-2-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 61156389
(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828970
2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22644980
(2R)-2-[[carboxy-[(4-methylphenyl)sulfonylamino]methyl]amino]-4-methylpentanoic acid
CID 53389398
(2S)-2-[(3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 30049594

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid (CID 122069284) is (2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NS(=O)(=O)c1ccc(N(C)C)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid?
The InChIKey is GVEFTIBAGVTWBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(2)9-13(14(17)18)15-21(19,20)12-7-5-11(6-8-12)16(3)4/h5-8,10,13,15H,9H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid?
(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid has a molecular weight of 314.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122069284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).