6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline

C13H18N2O2S — CID 7064100

IUPAC6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCCC1
InChIInChI=1S/C13H18N2O2S/c16-18(17,15-8-1-2-9-15)12-5-6-13-11(10-12)4-3-7-14-13/h5-6,10,14H,1-4,7-9H2
InChIKeyCVGAVEBLFIEIQO-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.83
Rot. Bonds2

About 6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline

6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 7064100) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID7064100
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCCC1
InChIInChI=1S/C13H18N2O2S/c16-18(17,15-8-1-2-9-15)12-5-6-13-11(10-12)4-3-7-14-13/h5-6,10,14H,1-4,7-9H2
InChIKeyCVGAVEBLFIEIQO-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline (CID 7064100) is 6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline is O=S(=O)(c1ccc2c(c1)CCCN2)N1CCCC1.
What is the InChIKey of 6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is CVGAVEBLFIEIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-18(17,15-8-1-2-9-15)12-5-6-13-11(10-12)4-3-7-14-13/h5-6,10,14H,1-4,7-9H2.
What are the key properties of 6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline?
6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 266.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 7064100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).