7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine

C17H18N4O2S — CID 175304923

IUPAC7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCCCC3)ncnc12
InChIInChI=1S/C17H18N4O2S/c22-24(23,13-7-3-1-4-8-13)14-11-18-16-15(14)19-12-20-17(16)21-9-5-2-6-10-21/h1,3-4,7-8,11-12,18H,2,5-6,9-10H2
InChIKeyMPTYCAGROYCCOZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.78
Rot. Bonds3

About 7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine

7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 175304923) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID175304923
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCCCC3)ncnc12
InChIInChI=1S/C17H18N4O2S/c22-24(23,13-7-3-1-4-8-13)14-11-18-16-15(14)19-12-20-17(16)21-9-5-2-6-10-21/h1,3-4,7-8,11-12,18H,2,5-6,9-10H2
InChIKeyMPTYCAGROYCCOZ-UHFFFAOYSA-N
XLogP2.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 175304923) is 7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is O=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCCCC3)ncnc12.
What is the InChIKey of 7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is MPTYCAGROYCCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-24(23,13-7-3-1-4-8-13)14-11-18-16-15(14)19-12-20-17(16)21-9-5-2-6-10-21/h1,3-4,7-8,11-12,18H,2,5-6,9-10H2.
What are the key properties of 7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 342.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 175304923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).