2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine

C14H23N3O3S — CID 103304816

IUPAC2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine
SMILESCCCNc1cccnc1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H23N3O3S/c1-4-7-15-12-6-5-8-16-13(12)21(18,19)17-9-10-20-14(2,3)11-17/h5-6,8,15H,4,7,9-11H2,1-3H3
InChIKeyFJJKCDIZPDQNDL-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.70
Rot. Bonds5

About 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine

2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine (PubChem CID 103304816) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine
PubChem CID103304816
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine
SMILESCCCNc1cccnc1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H23N3O3S/c1-4-7-15-12-6-5-8-16-13(12)21(18,19)17-9-10-20-14(2,3)11-17/h5-6,8,15H,4,7,9-11H2,1-3H3
InChIKeyFJJKCDIZPDQNDL-UHFFFAOYSA-N
XLogP1.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine (CID 103304816) is 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine is CCCNc1cccnc1S(=O)(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine?
The InChIKey is FJJKCDIZPDQNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-7-15-12-6-5-8-16-13(12)21(18,19)17-9-10-20-14(2,3)11-17/h5-6,8,15H,4,7,9-11H2,1-3H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine?
2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine has a molecular weight of 313.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine is sourced from PubChem (CID 103304816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).