N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide

C12H19N3O3S — CID 103306392

IUPACN-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)CC1CC(O)C1
InChIInChI=1S/C12H19N3O3S/c1-13-11-4-3-5-14-12(11)19(17,18)15(2)8-9-6-10(16)7-9/h3-5,9-10,13,16H,6-8H2,1-2H3
InChIKeyQKUFTYUTIOYYMM-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.51
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide

N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103306392) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103306392
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)CC1CC(O)C1
InChIInChI=1S/C12H19N3O3S/c1-13-11-4-3-5-14-12(11)19(17,18)15(2)8-9-6-10(16)7-9/h3-5,9-10,13,16H,6-8H2,1-2H3
InChIKeyQKUFTYUTIOYYMM-UHFFFAOYSA-N
XLogP0.51
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305951
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103304973
N-[3-(dimethylamino)propyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306050
N-methyl-3-(methylamino)-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 103306504
N-(1-ethylpiperidin-4-yl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305346
N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305595
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305649
N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305406
N-methyl-3-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103305698
N-methyl-3-(methylamino)-N-pyridin-4-ylpyridine-2-sulfonamide
CID 106936960
N-cyclohexyl-N-ethyl-3-(methylamino)pyridine-2-sulfonamide
CID 103303879
N-(2-hydroxyethyl)-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-sulfonamide
CID 107485963

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide (CID 103306392) is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)N(C)CC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is QKUFTYUTIOYYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-13-11-4-3-5-14-12(11)19(17,18)15(2)8-9-6-10(16)7-9/h3-5,9-10,13,16H,6-8H2,1-2H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103306392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).