N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C18H23N3O3S — CID 2490105

IUPACN-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCc1ccc(OCCNc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C18H23N3O3S/c1-15-4-6-16(7-5-15)24-13-10-19-18-9-8-17(14-20-18)25(22,23)21-11-2-3-12-21/h4-9,14H,2-3,10-13H2,1H3,(H,19,20)
InChIKeyOQOVMLLXYFWYCM-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 2490105) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID2490105
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCc1ccc(OCCNc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C18H23N3O3S/c1-15-4-6-16(7-5-15)24-13-10-19-18-9-8-17(14-20-18)25(22,23)21-11-2-3-12-21/h4-9,14H,2-3,10-13H2,1H3,(H,19,20)
InChIKeyOQOVMLLXYFWYCM-UHFFFAOYSA-N
XLogP2.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 2490105) is N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is Cc1ccc(OCCNc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is OQOVMLLXYFWYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-15-4-6-16(7-5-15)24-13-10-19-18-9-8-17(14-20-18)25(22,23)21-11-2-3-12-21/h4-9,14H,2-3,10-13H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 361.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 2490105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).