N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C14H20N4O2S2 — CID 133408749

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCS(=O)(=O)N1CCC(Nc2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C14H20N4O2S2/c1-3-22(19,20)18-6-4-11(5-7-18)17-13-12-8-10(2)21-14(12)16-9-15-13/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyJTVLTCQWDDMRHJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.23
Rot. Bonds4

About N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine

N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133408749) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133408749
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCS(=O)(=O)N1CCC(Nc2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C14H20N4O2S2/c1-3-22(19,20)18-6-4-11(5-7-18)17-13-12-8-10(2)21-14(12)16-9-15-13/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyJTVLTCQWDDMRHJ-UHFFFAOYSA-N
XLogP2.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 133408749) is N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is CCS(=O)(=O)N1CCC(Nc2ncnc3sc(C)cc23)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JTVLTCQWDDMRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-3-22(19,20)18-6-4-11(5-7-18)17-13-12-8-10(2)21-14(12)16-9-15-13/h8-9,11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133408749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).