5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine

C14H24N4O2S — CID 62147056

IUPAC5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(S(=O)(=O)N2CCCC(C)C2C)cn1
InChIInChI=1S/C14H24N4O2S/c1-4-7-15-14-16-9-13(10-17-14)21(19,20)18-8-5-6-11(2)12(18)3/h9-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyXIBKLYYWXURSDZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.11
Rot. Bonds5

About 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine

5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine (PubChem CID 62147056) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
PubChem CID62147056
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(S(=O)(=O)N2CCCC(C)C2C)cn1
InChIInChI=1S/C14H24N4O2S/c1-4-7-15-14-16-9-13(10-17-14)21(19,20)18-8-5-6-11(2)12(18)3/h9-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyXIBKLYYWXURSDZ-UHFFFAOYSA-N
XLogP2.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine (CID 62147056) is 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine is CCCNc1ncc(S(=O)(=O)N2CCCC(C)C2C)cn1.
What is the InChIKey of 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
The InChIKey is XIBKLYYWXURSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-7-15-14-16-9-13(10-17-14)21(19,20)18-8-5-6-11(2)12(18)3/h9-12H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 62147056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).