N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide

C15H25N3O2S — CID 107401225

IUPACN-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccncc1S(=O)(=O)N(CC)CC1CCC1
InChIInChI=1S/C15H25N3O2S/c1-3-9-17-14-8-10-16-11-15(14)21(19,20)18(4-2)12-13-6-5-7-13/h8,10-11,13H,3-7,9,12H2,1-2H3,(H,16,17)
InChIKeyZIDDDRYEOUJKOV-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.71
Rot. Bonds8

About N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide

N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide (PubChem CID 107401225) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide
PubChem CID107401225
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccncc1S(=O)(=O)N(CC)CC1CCC1
InChIInChI=1S/C15H25N3O2S/c1-3-9-17-14-8-10-16-11-15(14)21(19,20)18(4-2)12-13-6-5-7-13/h8,10-11,13H,3-7,9,12H2,1-2H3,(H,16,17)
InChIKeyZIDDDRYEOUJKOV-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide
CID 107401260
N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide
CID 107399525
N-(cyclopropylmethyl)-N-ethyl-6-(propylamino)pyridine-3-sulfonamide
CID 63940107
N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238812
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64520844
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793
N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
CID 107402685
N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide
CID 107402614

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide (CID 107401225) is N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide is CCCNc1ccncc1S(=O)(=O)N(CC)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide?
The InChIKey is ZIDDDRYEOUJKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-9-17-14-8-10-16-11-15(14)21(19,20)18(4-2)12-13-6-5-7-13/h8,10-11,13H,3-7,9,12H2,1-2H3,(H,16,17).
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide?
N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107401225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).