N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C14H16N2O2S2 — CID 43363863

IUPACN-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H16N2O2S2/c17-20(18,16-10-12-4-2-8-19-12)13-5-6-14-11(9-13)3-1-7-15-14/h2,4-6,8-9,15-16H,1,3,7,10H2
InChIKeyWGJLRKZPAXZBJL-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.58
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 43363863) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID43363863
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H16N2O2S2/c17-20(18,16-10-12-4-2-8-19-12)13-5-6-14-11(9-13)3-1-7-15-14/h2,4-6,8-9,15-16H,1,3,7,10H2
InChIKeyWGJLRKZPAXZBJL-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62056573
2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 6624556
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 63303324
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 106402225
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 61461227
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 43363863) is N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide is O=S(=O)(NCc1cccs1)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is WGJLRKZPAXZBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-20(18,16-10-12-4-2-8-19-12)13-5-6-14-11(9-13)3-1-7-15-14/h2,4-6,8-9,15-16H,1,3,7,10H2.
What are the key properties of N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 308.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 43363863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).