1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione

C17H25N3O3S — CID 20600954

IUPAC1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione
SMILESCC1CCC(=O)N(CCCn2c3c(c(=O)[nH]c2=O)CSCC3)C1C
InChIInChI=1S/C17H25N3O3S/c1-11-4-5-15(21)19(12(11)2)7-3-8-20-14-6-9-24-10-13(14)16(22)18-17(20)23/h11-12H,3-10H2,1-2H3,(H,18,22,23)
InChIKeyLFEUOKIZLRJFDH-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.36
Rot. Bonds4

About 1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione

1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione (PubChem CID 20600954) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione
PubChem CID20600954
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione
SMILESCC1CCC(=O)N(CCCn2c3c(c(=O)[nH]c2=O)CSCC3)C1C
InChIInChI=1S/C17H25N3O3S/c1-11-4-5-15(21)19(12(11)2)7-3-8-20-14-6-9-24-10-13(14)16(22)18-17(20)23/h11-12H,3-10H2,1-2H3,(H,18,22,23)
InChIKeyLFEUOKIZLRJFDH-UHFFFAOYSA-N
XLogP1.36
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione (CID 20600954) is 1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione is CC1CCC(=O)N(CCCn2c3c(c(=O)[nH]c2=O)CSCC3)C1C.
What is the InChIKey of 1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione?
The InChIKey is LFEUOKIZLRJFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-11-4-5-15(21)19(12(11)2)7-3-8-20-14-6-9-24-10-13(14)16(22)18-17(20)23/h11-12H,3-10H2,1-2H3,(H,18,22,23).
What are the key properties of 1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione?
1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione has a molecular weight of 351.47 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethyl-6-oxopiperidin-1-yl)propyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20600954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).