N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide

C16H17N5O2S — CID 154782396

IUPACN-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1cn(Cc2ccc3ncccc3c2)nn1)C1CC1
InChIInChI=1S/C16H17N5O2S/c22-24(23,15-4-5-15)18-9-14-11-21(20-19-14)10-12-3-6-16-13(8-12)2-1-7-17-16/h1-3,6-8,11,15,18H,4-5,9-10H2
InChIKeyIBXLFRFGGWGRRA-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.46
Rot. Bonds6

About N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide

N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide (PubChem CID 154782396) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide
PubChem CID154782396
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1cn(Cc2ccc3ncccc3c2)nn1)C1CC1
InChIInChI=1S/C16H17N5O2S/c22-24(23,15-4-5-15)18-9-14-11-21(20-19-14)10-12-3-6-16-13(8-12)2-1-7-17-16/h1-3,6-8,11,15,18H,4-5,9-10H2
InChIKeyIBXLFRFGGWGRRA-UHFFFAOYSA-N
XLogP1.46
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine
CID 146081748
N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide
CID 154780881
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
CID 81444006
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine
CID 114419542
1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride
CID 82913308
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione
CID 64880979
N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide
CID 100638984
3-methyl-1-(quinolin-6-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881992
N-[2-methyl-1-[7-(quinolin-6-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]propyl]methanesulfonamide
CID 126465828
2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294

Frequently Asked Questions

What is the IUPAC name of N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide (CID 154782396) is N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NCc1cn(Cc2ccc3ncccc3c2)nn1)C1CC1.
What is the InChIKey of N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide?
The InChIKey is IBXLFRFGGWGRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-24(23,15-4-5-15)18-9-14-11-21(20-19-14)10-12-3-6-16-13(8-12)2-1-7-17-16/h1-3,6-8,11,15,18H,4-5,9-10H2.
What are the key properties of N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide?
N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 154782396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).