2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine

C20H27N3O2S — CID 53465560

IUPAC2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)nc1
InChIInChI=1S/C20H27N3O2S/c1-16(2)13-21-14-17-9-10-19(22-15-17)18-7-3-4-8-20(18)26(24,25)23-11-5-6-12-23/h3-4,7-10,15-16,21H,5-6,11-14H2,1-2H3
InChIKeyPKZQWRQFFLAPRP-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.28
Rot. Bonds7

About 2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 53465560) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID53465560
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)nc1
InChIInChI=1S/C20H27N3O2S/c1-16(2)13-21-14-17-9-10-19(22-15-17)18-7-3-4-8-20(18)26(24,25)23-11-5-6-12-23/h3-4,7-10,15-16,21H,5-6,11-14H2,1-2H3
InChIKeyPKZQWRQFFLAPRP-UHFFFAOYSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine (CID 53465560) is 2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)nc1.
What is the InChIKey of 2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is PKZQWRQFFLAPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-16(2)13-21-14-17-9-10-19(22-15-17)18-7-3-4-8-20(18)26(24,25)23-11-5-6-12-23/h3-4,7-10,15-16,21H,5-6,11-14H2,1-2H3.
What are the key properties of 2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 373.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 53465560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).