N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C16H24N2O2S — CID 104773900

IUPACN-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc2c1CCCN2)C1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-12(13-6-2-3-7-13)18-21(19,20)16-10-4-9-15-14(16)8-5-11-17-15/h4,9-10,12-13,17-18H,2-3,5-8,11H2,1H3
InChIKeyLSYDVJPQFJISBT-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.90
Rot. Bonds4

About N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide

N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 104773900) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID104773900
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc2c1CCCN2)C1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-12(13-6-2-3-7-13)18-21(19,20)16-10-4-9-15-14(16)8-5-11-17-15/h4,9-10,12-13,17-18H,2-3,5-8,11H2,1H3
InChIKeyLSYDVJPQFJISBT-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 104773900) is N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is CC(NS(=O)(=O)c1cccc2c1CCCN2)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is LSYDVJPQFJISBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(13-6-2-3-7-13)18-21(19,20)16-10-4-9-15-14(16)8-5-11-17-15/h4,9-10,12-13,17-18H,2-3,5-8,11H2,1H3.
What are the key properties of N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 104773900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).