4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide

C11H20O2S — CID 146652678

IUPAC4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide
SMILESCC(C)CC1CCC2CS(=O)(=O)CC12
InChIInChI=1S/C11H20O2S/c1-8(2)5-9-3-4-10-6-14(12,13)7-11(9)10/h8-11H,3-7H2,1-2H3
InChIKeyBLMARNLPBRJSFO-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.10
Rot. Bonds2

About 4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide

4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide (PubChem CID 146652678) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide.

Molecular Properties

Compound Name4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide
PubChem CID146652678
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide
SMILESCC(C)CC1CCC2CS(=O)(=O)CC12
InChIInChI=1S/C11H20O2S/c1-8(2)5-9-3-4-10-6-14(12,13)7-11(9)10/h8-11H,3-7H2,1-2H3
InChIKeyBLMARNLPBRJSFO-UHFFFAOYSA-N
XLogP2.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide?
The IUPAC name of 4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide (CID 146652678) is 4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide.
What is the SMILES notation for 4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide?
The canonical SMILES for 4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide is CC(C)CC1CCC2CS(=O)(=O)CC12.
What is the InChIKey of 4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide?
The InChIKey is BLMARNLPBRJSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-8(2)5-9-3-4-10-6-14(12,13)7-11(9)10/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide?
4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide has a molecular weight of 216.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide is sourced from PubChem (CID 146652678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).