2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide

C10H15NO2S — CID 162695956

IUPAC2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide
SMILESCC(C)c1cc2c([nH]1)CCCS2(=O)=O
InChIInChI=1S/C10H15NO2S/c1-7(2)9-6-10-8(11-9)4-3-5-14(10,12)13/h6-7,11H,3-5H2,1-2H3
InChIKeyCBBRAPBQQGOSGV-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.86
Rot. Bonds1

About 2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide

2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide (PubChem CID 162695956) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide.

Molecular Properties

Compound Name2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide
PubChem CID162695956
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide
SMILESCC(C)c1cc2c([nH]1)CCCS2(=O)=O
InChIInChI=1S/C10H15NO2S/c1-7(2)9-6-10-8(11-9)4-3-5-14(10,12)13/h6-7,11H,3-5H2,1-2H3
InChIKeyCBBRAPBQQGOSGV-UHFFFAOYSA-N
XLogP1.86
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide?
The IUPAC name of 2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide (CID 162695956) is 2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide.
What is the SMILES notation for 2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide?
The canonical SMILES for 2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide is CC(C)c1cc2c([nH]1)CCCS2(=O)=O.
What is the InChIKey of 2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide?
The InChIKey is CBBRAPBQQGOSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7(2)9-6-10-8(11-9)4-3-5-14(10,12)13/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide?
2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide has a molecular weight of 213.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole 4,4-dioxide is sourced from PubChem (CID 162695956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).