N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide

C14H20N4O2S2 — CID 41332420

IUPACN-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1sc2ncnc(N3CCC(NS(C)(=O)=O)CC3)c2c1C
InChIInChI=1S/C14H20N4O2S2/c1-9-10(2)21-14-12(9)13(15-8-16-14)18-6-4-11(5-7-18)17-22(3,19)20/h8,11,17H,4-7H2,1-3H3
InChIKeyCLHNIOYLLOKUEW-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.83
Rot. Bonds3

About N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide

N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 41332420) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
PubChem CID41332420
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1sc2ncnc(N3CCC(NS(C)(=O)=O)CC3)c2c1C
InChIInChI=1S/C14H20N4O2S2/c1-9-10(2)21-14-12(9)13(15-8-16-14)18-6-4-11(5-7-18)17-22(3,19)20/h8,11,17H,4-7H2,1-3H3
InChIKeyCLHNIOYLLOKUEW-UHFFFAOYSA-N
XLogP1.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide (CID 41332420) is N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide is Cc1sc2ncnc(N3CCC(NS(C)(=O)=O)CC3)c2c1C.
What is the InChIKey of N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is CLHNIOYLLOKUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-9-10(2)21-14-12(9)13(15-8-16-14)18-6-4-11(5-7-18)17-22(3,19)20/h8,11,17H,4-7H2,1-3H3.
What are the key properties of N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 340.47 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 41332420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).