N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide

C15H21N5O2S — CID 100691756

IUPACN-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC[C@H]2Cn2ccnc2C)nc1
InChIInChI=1S/C15H21N5O2S/c1-12-17-7-9-19(12)11-13-4-3-8-20(13)15-6-5-14(10-18-15)23(21,22)16-2/h5-7,9-10,13,16H,3-4,8,11H2,1-2H3/t13-/m0/s1
InChIKeyHJWYCMIHAWGAEH-ZDUSSCGKSA-N
MW335.43 g/mol
LogP1.16
Rot. Bonds5

About N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide

N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide (PubChem CID 100691756) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
PubChem CID100691756
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC[C@H]2Cn2ccnc2C)nc1
InChIInChI=1S/C15H21N5O2S/c1-12-17-7-9-19(12)11-13-4-3-8-20(13)15-6-5-14(10-18-15)23(21,22)16-2/h5-7,9-10,13,16H,3-4,8,11H2,1-2H3/t13-/m0/s1
InChIKeyHJWYCMIHAWGAEH-ZDUSSCGKSA-N
XLogP1.16
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133403923
6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644
N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133317803
2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline
CID 100692414
2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol
CID 100692453
4-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoline
CID 99837183
4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75438009
1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole
CID 129425471
1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 126806050
2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine
CID 100692267
6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341466
N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide
CID 133428943

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide (CID 100691756) is N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(N2CCC[C@H]2Cn2ccnc2C)nc1.
What is the InChIKey of N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is HJWYCMIHAWGAEH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-12-17-7-9-19(12)11-13-4-3-8-20(13)15-6-5-14(10-18-15)23(21,22)16-2/h5-7,9-10,13,16H,3-4,8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide?
N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 100691756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).