N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide

C15H21N5O2S — CID 154772382

IUPACN-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2cccc(NCc3nccn3C)n2)C1
InChIInChI=1S/C15H21N5O2S/c1-11-8-12(9-11)19-23(21,22)15-5-3-4-13(18-15)17-10-14-16-6-7-20(14)2/h3-7,11-12,19H,8-10H2,1-2H3,(H,17,18)
InChIKeyBDLOJBQVLBBABD-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.50
Rot. Bonds6

About N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide

N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide (PubChem CID 154772382) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide
PubChem CID154772382
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2cccc(NCc3nccn3C)n2)C1
InChIInChI=1S/C15H21N5O2S/c1-11-8-12(9-11)19-23(21,22)15-5-3-4-13(18-15)17-10-14-16-6-7-20(14)2/h3-7,11-12,19H,8-10H2,1-2H3,(H,17,18)
InChIKeyBDLOJBQVLBBABD-UHFFFAOYSA-N
XLogP1.50
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[6-[(3-methylcyclobutyl)sulfamoyl]-2-pyridinyl]amino]acetamide
CID 136574966
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine
CID 80829255
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80913707
2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62351719
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
5-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63295615
2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295525
2-amino-N,N-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 107116297
1-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-1,8-diamine
CID 82569926
6-methoxy-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 155403130

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide?
The IUPAC name of N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide (CID 154772382) is N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide.
What is the SMILES notation for N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide?
The canonical SMILES for N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide is CC1CC(NS(=O)(=O)c2cccc(NCc3nccn3C)n2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide?
The InChIKey is BDLOJBQVLBBABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-8-12(9-11)19-23(21,22)15-5-3-4-13(18-15)17-10-14-16-6-7-20(14)2/h3-7,11-12,19H,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide?
N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide is sourced from PubChem (CID 154772382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).