7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C16H16N4O4S — CID 129187114

IUPAC7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESNc1[nH]c2c(O[C@H]3CCOC3)ncnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N4O4S/c17-15-14(25(21,22)11-4-2-1-3-5-11)12-13(20-15)16(19-9-18-12)24-10-6-7-23-8-10/h1-5,9-10,20H,6-8,17H2/t10-/m0/s1
InChIKeySROSXNOUBXSTIX-JTQLQIEISA-N
MW360.40 g/mol
LogP1.54
Rot. Bonds4

About 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine

7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 129187114) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID129187114
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESNc1[nH]c2c(O[C@H]3CCOC3)ncnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N4O4S/c17-15-14(25(21,22)11-4-2-1-3-5-11)12-13(20-15)16(19-9-18-12)24-10-6-7-23-8-10/h1-5,9-10,20H,6-8,17H2/t10-/m0/s1
InChIKeySROSXNOUBXSTIX-JTQLQIEISA-N
XLogP1.54
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10059713, Example 296
CID 118610526
US10059713, Example 211
CID 118610608
US10059713, Example 272
CID 118610707
US10059713, Example 273
CID 118610737
US10059713, Example 194
CID 118610741
US10059713, Example 274
CID 118615634
US10059713, Example 259
CID 118615800
US10059713, Example 254
CID 129187061
US10059713, Example 260
CID 129187081
US10059713, Example 175
CID 129187105
US10059713, Example 171
CID 129187111
US10059713, Example 222
CID 118610757

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 129187114) is 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Nc1[nH]c2c(O[C@H]3CCOC3)ncnc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is SROSXNOUBXSTIX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16N4O4S/c17-15-14(25(21,22)11-4-2-1-3-5-11)12-13(20-15)16(19-9-18-12)24-10-6-7-23-8-10/h1-5,9-10,20H,6-8,17H2/t10-/m0/s1.
What are the key properties of 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 360.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-[(3S)-oxolan-3-yl]oxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 129187114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).