2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid

C15H24N2O4S — CID 122060386

IUPAC2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid
SMILESCCCCC(Nc1ccc(S(=O)(=O)C(C)(C)C)nc1)C(=O)O
InChIInChI=1S/C15H24N2O4S/c1-5-6-7-12(14(18)19)17-11-8-9-13(16-10-11)22(20,21)15(2,3)4/h8-10,12,17H,5-7H2,1-4H3,(H,18,19)
InChIKeyVSFYOPUUPKLMAL-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.71
Rot. Bonds7

About 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid

2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid (PubChem CID 122060386) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid
PubChem CID122060386
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid
SMILESCCCCC(Nc1ccc(S(=O)(=O)C(C)(C)C)nc1)C(=O)O
InChIInChI=1S/C15H24N2O4S/c1-5-6-7-12(14(18)19)17-11-8-9-13(16-10-11)22(20,21)15(2,3)4/h8-10,12,17H,5-7H2,1-4H3,(H,18,19)
InChIKeyVSFYOPUUPKLMAL-UHFFFAOYSA-N
XLogP2.71
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]propanoic acid
CID 122048213
2-(4-methylsulfanylanilino)hexanoic acid
CID 103232532
4-(1-carboxypentadecylamino)benzoic acid
CID 57200267
2-(4-methylanilino)heptanoic acid
CID 54889807
2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide
CID 133360538
2-(4-methylanilino)nonanoic acid
CID 63524441
2-(4-bromoanilino)octanoic acid
CID 55223557
2-(thiophen-3-ylamino)hexanoic acid
CID 103255804
3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-1-phenylbutan-2-ol
CID 133400244
(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid
CID 122063013
2-[(5-iodo-2-pyridinyl)amino]hexanoic acid
CID 122060460
2-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 61188738

Frequently Asked Questions

What is the IUPAC name of 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid?
The IUPAC name of 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid (CID 122060386) is 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid?
The canonical SMILES for 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid is CCCCC(Nc1ccc(S(=O)(=O)C(C)(C)C)nc1)C(=O)O.
What is the InChIKey of 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid?
The InChIKey is VSFYOPUUPKLMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-6-7-12(14(18)19)17-11-8-9-13(16-10-11)22(20,21)15(2,3)4/h8-10,12,17H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid?
2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid has a molecular weight of 328.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid is sourced from PubChem (CID 122060386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).