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

C15H21N5O2S — CID 56756784

IUPACN-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide
SMILESCn1ccnc1CN1CCC(CNS(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C15H21N5O2S/c1-19-8-6-17-15(19)12-20-7-4-13(11-20)9-18-23(21,22)14-3-2-5-16-10-14/h2-3,5-6,8,10,13,18H,4,7,9,11-12H2,1H3
InChIKeyMPTHCZOEIBKXBO-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.62
Rot. Bonds6

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

N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide (PubChem CID 56756784) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide
PubChem CID56756784
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide
SMILESCn1ccnc1CN1CCC(CNS(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C15H21N5O2S/c1-19-8-6-17-15(19)12-20-7-4-13(11-20)9-18-23(21,22)14-3-2-5-16-10-14/h2-3,5-6,8,10,13,18H,4,7,9,11-12H2,1H3
InChIKeyMPTHCZOEIBKXBO-UHFFFAOYSA-N
XLogP0.62
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide (CID 56756784) is N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide is Cn1ccnc1CN1CCC(CNS(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is MPTHCZOEIBKXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-19-8-6-17-15(19)12-20-7-4-13(11-20)9-18-23(21,22)14-3-2-5-16-10-14/h2-3,5-6,8,10,13,18H,4,7,9,11-12H2,1H3.
What are the key properties of N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide?
N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 56756784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).