N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine

C17H18N4O2S — CID 25002636

IUPACN-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2cccnc2C)n(S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C17H18N4O2S/c1-13-16(6-4-8-20-13)17-9-14(10-18-2)12-21(17)24(22,23)15-5-3-7-19-11-15/h3-9,11-12,18H,10H2,1-2H3
InChIKeyMWBUPPOEMAMSLH-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine

N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine (PubChem CID 25002636) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine
PubChem CID25002636
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2cccnc2C)n(S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C17H18N4O2S/c1-13-16(6-4-8-20-13)17-9-14(10-18-2)12-21(17)24(22,23)15-5-3-7-19-11-15/h3-9,11-12,18H,10H2,1-2H3
InChIKeyMWBUPPOEMAMSLH-UHFFFAOYSA-N
XLogP2.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
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4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
3-(1-Tosylpyrrolidin-2-yl)pyridine
CID 2738278
3-[(E)-{1-[1-(benzenesulfonyl)-1H-indol-3-yl]ethylidene}amino]guanidine
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{2-[1-(benzenesulfonyl)-1H-pyrrolo[3,2-c]pyridin-3-yl]ethyl}dimethylamine, 15
CID 71463516

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine (CID 25002636) is N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine is CNCc1cc(-c2cccnc2C)n(S(=O)(=O)c2cccnc2)c1.
What is the InChIKey of N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine?
The InChIKey is MWBUPPOEMAMSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-13-16(6-4-8-20-13)17-9-14(10-18-2)12-21(17)24(22,23)15-5-3-7-19-11-15/h3-9,11-12,18H,10H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine?
N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine has a molecular weight of 342.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine is sourced from PubChem (CID 25002636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).