6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine

C14H17N3O3S — CID 103538322

IUPAC6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine
SMILESCOC1CCN(S(=O)(=O)c2ccc3nc(N)ccc3c2)C1
InChIInChI=1S/C14H17N3O3S/c1-20-11-6-7-17(9-11)21(18,19)12-3-4-13-10(8-12)2-5-14(15)16-13/h2-5,8,11H,6-7,9H2,1H3,(H2,15,16)
InChIKeyQDCOFGIKLYTKTP-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.23
Rot. Bonds3

About 6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine

6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine (PubChem CID 103538322) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine.

Molecular Properties

Compound Name6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine
PubChem CID103538322
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine
SMILESCOC1CCN(S(=O)(=O)c2ccc3nc(N)ccc3c2)C1
InChIInChI=1S/C14H17N3O3S/c1-20-11-6-7-17(9-11)21(18,19)12-3-4-13-10(8-12)2-5-14(15)16-13/h2-5,8,11H,6-7,9H2,1H3,(H2,15,16)
InChIKeyQDCOFGIKLYTKTP-UHFFFAOYSA-N
XLogP1.23
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline
CID 103532783
1-(2-aminoquinolin-6-yl)sulfonylpiperidin-4-ol
CID 62143522
6-(3,4-dimethylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 79179415
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
4-(3-methoxypyrrolidin-1-yl)sulfonyl-2-nitroaniline
CID 103535330
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
6-(2-methylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 62162789
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
2-bromo-5-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 115328758
2-methoxy-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531339
[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 103535101

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine?
The IUPAC name of 6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine (CID 103538322) is 6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine.
What is the SMILES notation for 6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine?
The canonical SMILES for 6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine is COC1CCN(S(=O)(=O)c2ccc3nc(N)ccc3c2)C1.
What is the InChIKey of 6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine?
The InChIKey is QDCOFGIKLYTKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-11-6-7-17(9-11)21(18,19)12-3-4-13-10(8-12)2-5-14(15)16-13/h2-5,8,11H,6-7,9H2,1H3,(H2,15,16).
What are the key properties of 6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine?
6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine has a molecular weight of 307.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine is sourced from PubChem (CID 103538322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).