N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide

C13H23N3O2S — CID 62143390

IUPACN-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC(C)C(C)C)cn1
InChIInChI=1S/C13H23N3O2S/c1-5-8-14-13-7-6-12(9-15-13)19(17,18)16-11(4)10(2)3/h6-7,9-11,16H,5,8H2,1-4H3,(H,14,15)
InChIKeyNLPDEEMIJGMGCW-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.23
Rot. Bonds7

About N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide

N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 62143390) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID62143390
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC(C)C(C)C)cn1
InChIInChI=1S/C13H23N3O2S/c1-5-8-14-13-7-6-12(9-15-13)19(17,18)16-11(4)10(2)3/h6-7,9-11,16H,5,8H2,1-4H3,(H,14,15)
InChIKeyNLPDEEMIJGMGCW-UHFFFAOYSA-N
XLogP2.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide
CID 106347089
N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 104765369
6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide
CID 98016847
N-benzyl-6-(propylamino)pyridine-3-sulfonamide
CID 62148374
N-(2-methylcyclopropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 55071630
N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide
CID 62147366
6-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62147379
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143975
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62157283
6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914131

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide (CID 62143390) is N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)NC(C)C(C)C)cn1.
What is the InChIKey of N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is NLPDEEMIJGMGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-8-14-13-7-6-12(9-15-13)19(17,18)16-11(4)10(2)3/h6-7,9-11,16H,5,8H2,1-4H3,(H,14,15).
What are the key properties of N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62143390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).