3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane]

C15H15NS — CID 11547303

IUPAC3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane]
SMILESCC1=c2sc3ccccc3c2=NC12CCCC2
InChIInChI=1S/C15H15NS/c1-10-14-13(16-15(10)8-4-5-9-15)11-6-2-3-7-12(11)17-14/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyHOPUUKXIYVYUND-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.02
Rot. Bonds

About 3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane]

3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane] (PubChem CID 11547303) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane].

Molecular Properties

Compound Name3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane]
PubChem CID11547303
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane]
SMILESCC1=c2sc3ccccc3c2=NC12CCCC2
InChIInChI=1S/C15H15NS/c1-10-14-13(16-15(10)8-4-5-9-15)11-6-2-3-7-12(11)17-14/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyHOPUUKXIYVYUND-UHFFFAOYSA-N
XLogP3.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane]?
The IUPAC name of 3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane] (CID 11547303) is 3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane].
What is the SMILES notation for 3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane]?
The canonical SMILES for 3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane] is CC1=c2sc3ccccc3c2=NC12CCCC2.
What is the InChIKey of 3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane]?
The InChIKey is HOPUUKXIYVYUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-10-14-13(16-15(10)8-4-5-9-15)11-6-2-3-7-12(11)17-14/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane]?
3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane] has a molecular weight of 241.36 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane] is sourced from PubChem (CID 11547303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).