2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide

C15H25N3O3S — CID 133440405

IUPAC2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
SMILESCCC(CC)C1CC(Nc2ncccc2S(N)(=O)=O)CCO1
InChIInChI=1S/C15H25N3O3S/c1-3-11(4-2)13-10-12(7-9-21-13)18-15-14(22(16,19)20)6-5-8-17-15/h5-6,8,11-13H,3-4,7,9-10H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyMKABXGBSTQDQJA-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.12
Rot. Bonds6

About 2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide

2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide (PubChem CID 133440405) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
PubChem CID133440405
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
SMILESCCC(CC)C1CC(Nc2ncccc2S(N)(=O)=O)CCO1
InChIInChI=1S/C15H25N3O3S/c1-3-11(4-2)13-10-12(7-9-21-13)18-15-14(22(16,19)20)6-5-8-17-15/h5-6,8,11-13H,3-4,7,9-10H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyMKABXGBSTQDQJA-UHFFFAOYSA-N
XLogP2.12
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
CID 133439346
5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine
CID 133461855
3-nitro-2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-4-carbonitrile
CID 133441647
2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-sulfonamide
CID 133377701
N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine
CID 133441630
1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133440412
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440380
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407
4-methoxy-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440360
N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133440410
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
CID 99781873

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide?
The IUPAC name of 2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide (CID 133440405) is 2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide is CCC(CC)C1CC(Nc2ncccc2S(N)(=O)=O)CCO1.
What is the InChIKey of 2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide?
The InChIKey is MKABXGBSTQDQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-3-11(4-2)13-10-12(7-9-21-13)18-15-14(22(16,19)20)6-5-8-17-15/h5-6,8,11-13H,3-4,7,9-10H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide?
2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide has a molecular weight of 327.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133440405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).