2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C13H21NO3S — CID 83208567

IUPAC2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCCS(=O)(=O)CCn1cc2c(c1)C(O)CCCC2
InChIInChI=1S/C13H21NO3S/c1-2-18(16,17)8-7-14-9-11-5-3-4-6-13(15)12(11)10-14/h9-10,13,15H,2-8H2,1H3
InChIKeyDAOPVTZSCSLMCA-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.68
Rot. Bonds4

About 2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83208567) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83208567
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCCS(=O)(=O)CCn1cc2c(c1)C(O)CCCC2
InChIInChI=1S/C13H21NO3S/c1-2-18(16,17)8-7-14-9-11-5-3-4-6-13(15)12(11)10-14/h9-10,13,15H,2-8H2,1H3
InChIKeyDAOPVTZSCSLMCA-UHFFFAOYSA-N
XLogP1.68
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208640
2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208162
2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 103034936
2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208994
4-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)butanenitrile
CID 83209165
2-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208064
2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208564
2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide
CID 83207871
3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide
CID 83209102
2-(3-hydroxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208367
2-(2,2-diethoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 114459612
2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208249

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83208567) is 2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is CCS(=O)(=O)CCn1cc2c(c1)C(O)CCCC2.
What is the InChIKey of 2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is DAOPVTZSCSLMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-2-18(16,17)8-7-14-9-11-5-3-4-6-13(15)12(11)10-14/h9-10,13,15H,2-8H2,1H3.
What are the key properties of 2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 271.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83208567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).