N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide

C14H23N3O2S — CID 63859240

IUPACN-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)N(C)CC2CC2C)ccn1
InChIInChI=1S/C14H23N3O2S/c1-4-6-15-14-9-13(5-7-16-14)20(18,19)17(3)10-12-8-11(12)2/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,15,16)
InChIKeyQMRYDVWACNBHEU-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.18
Rot. Bonds7

About N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide

N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide (PubChem CID 63859240) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide
PubChem CID63859240
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)N(C)CC2CC2C)ccn1
InChIInChI=1S/C14H23N3O2S/c1-4-6-15-14-9-13(5-7-16-14)20(18,19)17(3)10-12-8-11(12)2/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,15,16)
InChIKeyQMRYDVWACNBHEU-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
CID 62151719
N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-4-sulfonamide
CID 62148150
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-sulfonamide
CID 63275008
N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62159155
N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
CID 62151680
6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 63859152
N-(dicyclopropylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62152445
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-N-propylpyridin-4-amine
CID 79251024
2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
CID 62148405
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62146336
N-(4-hydroxycyclohexyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62150249
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-disulfonamide
CID 63858844

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide?
The IUPAC name of N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide (CID 63859240) is N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide is CCCNc1cc(S(=O)(=O)N(C)CC2CC2C)ccn1.
What is the InChIKey of N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide?
The InChIKey is QMRYDVWACNBHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-6-15-14-9-13(5-7-16-14)20(18,19)17(3)10-12-8-11(12)2/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,15,16).
What are the key properties of N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide?
N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 63859240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).