N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide

C14H23N3O3S — CID 63706789

IUPACN-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C14H23N3O3S/c1-2-7-15-14-13(4-3-8-16-14)21(18,19)17-11-12-5-9-20-10-6-12/h3-4,8,12,17H,2,5-7,9-11H2,1H3,(H,15,16)
InChIKeyNFJPRQABSBZVLW-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.61
Rot. Bonds7

About N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide

N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 63706789) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID63706789
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C14H23N3O3S/c1-2-7-15-14-13(4-3-8-16-14)21(18,19)17-11-12-5-9-20-10-6-12/h3-4,8,12,17H,2,5-7,9-11H2,1H3,(H,15,16)
InChIKeyNFJPRQABSBZVLW-UHFFFAOYSA-N
XLogP1.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62824766
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62145518
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
CID 63830359
2-amino-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62825249
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62145977
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 106422776
N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide
CID 55043650
N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine
CID 115561614

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide (CID 63706789) is N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is NFJPRQABSBZVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-7-15-14-13(4-3-8-16-14)21(18,19)17-11-12-5-9-20-10-6-12/h3-4,8,12,17H,2,5-7,9-11H2,1H3,(H,15,16).
What are the key properties of N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide?
N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63706789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).