N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide

C19H25N3O3S — CID 133298695

IUPACN-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2(c3ccccc3C)CCOCC2)nc1
InChIInChI=1S/C19H25N3O3S/c1-15-5-3-4-6-17(15)19(9-11-25-12-10-19)14-22-18-8-7-16(13-21-18)26(23,24)20-2/h3-8,13,20H,9-12,14H2,1-2H3,(H,21,22)
InChIKeyPGFJMAGGTYHWMR-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.46
Rot. Bonds6

About N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide

N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide (PubChem CID 133298695) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
PubChem CID133298695
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2(c3ccccc3C)CCOCC2)nc1
InChIInChI=1S/C19H25N3O3S/c1-15-5-3-4-6-17(15)19(9-11-25-12-10-19)14-22-18-8-7-16(13-21-18)26(23,24)20-2/h3-8,13,20H,9-12,14H2,1-2H3,(H,21,22)
InChIKeyPGFJMAGGTYHWMR-UHFFFAOYSA-N
XLogP2.46
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000509
5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide
CID 133272354
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133272336
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide
CID 133298461
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-methyl-5-nitropyridin-2-amine
CID 133329622
5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one
CID 133272314
5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
CID 47018135
1,3-dimethyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-nitropyrazol-5-amine
CID 71937496
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304167
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide (CID 133298695) is N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCC2(c3ccccc3C)CCOCC2)nc1.
What is the InChIKey of N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
The InChIKey is PGFJMAGGTYHWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15-5-3-4-6-17(15)19(9-11-25-12-10-19)14-22-18-8-7-16(13-21-18)26(23,24)20-2/h3-8,13,20H,9-12,14H2,1-2H3,(H,21,22).
What are the key properties of N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133298695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).