4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine

C11H18N4O2S — CID 110250142

IUPAC4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
SMILESCCS(=O)(=O)N1CCCC(c2ccnc(N)n2)C1
InChIInChI=1S/C11H18N4O2S/c1-2-18(16,17)15-7-3-4-9(8-15)10-5-6-13-11(12)14-10/h5-6,9H,2-4,7-8H2,1H3,(H2,12,13,14)
InChIKeyYMKYBCJKNFENOO-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.59
Rot. Bonds3

About 4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine

4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine (PubChem CID 110250142) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
PubChem CID110250142
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
SMILESCCS(=O)(=O)N1CCCC(c2ccnc(N)n2)C1
InChIInChI=1S/C11H18N4O2S/c1-2-18(16,17)15-7-3-4-9(8-15)10-5-6-13-11(12)14-10/h5-6,9H,2-4,7-8H2,1H3,(H2,12,13,14)
InChIKeyYMKYBCJKNFENOO-UHFFFAOYSA-N
XLogP0.59
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine (CID 110250142) is 4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine is CCS(=O)(=O)N1CCCC(c2ccnc(N)n2)C1.
What is the InChIKey of 4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine?
The InChIKey is YMKYBCJKNFENOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-18(16,17)15-7-3-4-9(8-15)10-5-6-13-11(12)14-10/h5-6,9H,2-4,7-8H2,1H3,(H2,12,13,14).
What are the key properties of 4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine?
4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine has a molecular weight of 270.36 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 110250142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).