2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide

C14H17N3O2S2 — CID 107298100

IUPAC2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide
SMILESNc1ccc2cc(S(=O)(=O)NCC3CCSC3)ccc2n1
InChIInChI=1S/C14H17N3O2S2/c15-14-4-1-11-7-12(2-3-13(11)17-14)21(18,19)16-8-10-5-6-20-9-10/h1-4,7,10,16H,5-6,8-9H2,(H2,15,17)
InChIKeyCSKLXTCIDRQAOW-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide

2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide (PubChem CID 107298100) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide
PubChem CID107298100
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide
SMILESNc1ccc2cc(S(=O)(=O)NCC3CCSC3)ccc2n1
InChIInChI=1S/C14H17N3O2S2/c15-14-4-1-11-7-12(2-3-13(11)17-14)21(18,19)16-8-10-5-6-20-9-10/h1-4,7,10,16H,5-6,8-9H2,(H2,15,17)
InChIKeyCSKLXTCIDRQAOW-UHFFFAOYSA-N
XLogP1.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-nitro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297052
6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295654
4-(2-aminoethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297050
2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide
CID 62143229
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
2-amino-N-butylquinoline-6-sulfonamide
CID 62148529
4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089113
4-hydroxy-3-nitro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297324
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
CID 63823461
2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide
CID 102700466
4-amino-2-cyano-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294800
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107131760

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide?
The IUPAC name of 2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide (CID 107298100) is 2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide?
The canonical SMILES for 2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide is Nc1ccc2cc(S(=O)(=O)NCC3CCSC3)ccc2n1.
What is the InChIKey of 2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide?
The InChIKey is CSKLXTCIDRQAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c15-14-4-1-11-7-12(2-3-13(11)17-14)21(18,19)16-8-10-5-6-20-9-10/h1-4,7,10,16H,5-6,8-9H2,(H2,15,17).
What are the key properties of 2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide?
2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide is sourced from PubChem (CID 107298100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).