N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide

C13H15N3O3S2 — CID 136569928

IUPACN-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(C)c1S(=O)(=O)Nc1ncc2c(n1)CCOC2
InChIInChI=1S/C13H15N3O3S2/c1-8-7-20-9(2)12(8)21(17,18)16-13-14-5-10-6-19-4-3-11(10)15-13/h5,7H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyRDQSSEMAQUKKEY-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.03
Rot. Bonds3

About N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide

N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide (PubChem CID 136569928) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide
PubChem CID136569928
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(C)c1S(=O)(=O)Nc1ncc2c(n1)CCOC2
InChIInChI=1S/C13H15N3O3S2/c1-8-7-20-9(2)12(8)21(17,18)16-13-14-5-10-6-19-4-3-11(10)15-13/h5,7H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyRDQSSEMAQUKKEY-UHFFFAOYSA-N
XLogP2.03
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide (CID 136569928) is N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide is Cc1csc(C)c1S(=O)(=O)Nc1ncc2c(n1)CCOC2.
What is the InChIKey of N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide?
The InChIKey is RDQSSEMAQUKKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-8-7-20-9(2)12(8)21(17,18)16-13-14-5-10-6-19-4-3-11(10)15-13/h5,7H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide?
N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide has a molecular weight of 325.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 136569928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).