N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide

C14H24N4O2S — CID 79310769

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1cnccc1NC
InChIInChI=1S/C14H24N4O2S/c1-4-18-9-5-6-12(18)11-17(3)21(19,20)14-10-16-8-7-13(14)15-2/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,15,16)
InChIKeyOQSQUUGEGLZUFV-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.23
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide (PubChem CID 79310769) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide
PubChem CID79310769
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1cnccc1NC
InChIInChI=1S/C14H24N4O2S/c1-4-18-9-5-6-12(18)11-17(3)21(19,20)14-10-16-8-7-13(14)15-2/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,15,16)
InChIKeyOQSQUUGEGLZUFV-UHFFFAOYSA-N
XLogP1.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide
CID 107401260
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79311862
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79308982
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-4-amine
CID 104778534
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 23151964
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64520844
N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide
CID 81062766
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 79315278
5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide
CID 79308831
2-bromo-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-3-sulfonamide
CID 79308837
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 79303073

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide (CID 79310769) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide is CCN1CCCC1CN(C)S(=O)(=O)c1cnccc1NC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide?
The InChIKey is OQSQUUGEGLZUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-18-9-5-6-12(18)11-17(3)21(19,20)14-10-16-8-7-13(14)15-2/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,15,16).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 79310769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).