N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C18H23N3O2S — CID 4786643

IUPACN-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C18H23N3O2S/c1-15-5-7-16(8-6-15)14-20(2)18-10-9-17(13-19-18)24(22,23)21-11-3-4-12-21/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyDLRCUQUYNLALOF-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 4786643) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID4786643
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C18H23N3O2S/c1-15-5-7-16(8-6-15)14-20(2)18-10-9-17(13-19-18)24(22,23)21-11-3-4-12-21/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyDLRCUQUYNLALOF-UHFFFAOYSA-N
XLogP2.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 4786643) is N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is Cc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is DLRCUQUYNLALOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-15-5-7-16(8-6-15)14-20(2)18-10-9-17(13-19-18)24(22,23)21-11-3-4-12-21/h5-10,13H,3-4,11-12,14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 345.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 4786643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).