5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine

C14H15N5O2S2 — CID 100664521

IUPAC5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine
SMILESCC(C)Sc1nc(N)n(S(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C14H15N5O2S2/c1-9(2)22-14-17-13(15)19(18-14)23(20,21)11-7-3-5-10-6-4-8-16-12(10)11/h3-9H,1-2H3,(H2,15,17,18)
InChIKeyQDCQTGAADZCCSD-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.15
Rot. Bonds4

About 5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine

5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine (PubChem CID 100664521) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine
PubChem CID100664521
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC Name5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine
SMILESCC(C)Sc1nc(N)n(S(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C14H15N5O2S2/c1-9(2)22-14-17-13(15)19(18-14)23(20,21)11-7-3-5-10-6-4-8-16-12(10)11/h3-9H,1-2H3,(H2,15,17,18)
InChIKeyQDCQTGAADZCCSD-UHFFFAOYSA-N
XLogP2.15
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine with MolForge

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Related Compounds

8-methylsulfanylsulfonylquinoline
CID 913226
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
8-piperidin-1-ylsulfonylquinoline
CID 768759
2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one
CID 135545644
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide
CID 21143598
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 95628798
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine (CID 100664521) is 5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine is CC(C)Sc1nc(N)n(S(=O)(=O)c2cccc3cccnc23)n1.
What is the InChIKey of 5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine?
The InChIKey is QDCQTGAADZCCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-9(2)22-14-17-13(15)19(18-14)23(20,21)11-7-3-5-10-6-4-8-16-12(10)11/h3-9H,1-2H3,(H2,15,17,18).
What are the key properties of 5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine?
5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine has a molecular weight of 349.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 100664521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).