N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide

C17H21N5O2S — CID 95131488

IUPACN-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
SMILESCC(C)c1nc([C@@H](C)NS(C)(=O)=O)n(-c2cccc3cccnc23)n1
InChIInChI=1S/C17H21N5O2S/c1-11(2)16-19-17(12(3)21-25(4,23)24)22(20-16)14-9-5-7-13-8-6-10-18-15(13)14/h5-12,21H,1-4H3/t12-/m1/s1
InChIKeyHLNRNOMQSIWPPL-GFCCVEGCSA-N
MW359.46 g/mol
LogP2.55
Rot. Bonds5

About N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide

N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide (PubChem CID 95131488) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
PubChem CID95131488
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
SMILESCC(C)c1nc([C@@H](C)NS(C)(=O)=O)n(-c2cccc3cccnc23)n1
InChIInChI=1S/C17H21N5O2S/c1-11(2)16-19-17(12(3)21-25(4,23)24)22(20-16)14-9-5-7-13-8-6-10-18-15(13)14/h5-12,21H,1-4H3/t12-/m1/s1
InChIKeyHLNRNOMQSIWPPL-GFCCVEGCSA-N
XLogP2.55
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide with MolForge

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Related Compounds

8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline
CID 50955837
5-propan-2-yl-1-quinolin-8-yltriazol-4-amine
CID 79502966
8-methylsulfanylsulfonylquinoline
CID 913226
8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline
CID 50953775
N-[(1S)-2-methyl-1-[7-(quinolin-8-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]propyl]methanesulfonamide
CID 28957624
8-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607439
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 95628798
5-methyl-1-quinolin-8-yltriazol-4-amine
CID 79502676
N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3716853
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593
N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
CID 97445327

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide (CID 95131488) is N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide is CC(C)c1nc([C@@H](C)NS(C)(=O)=O)n(-c2cccc3cccnc23)n1.
What is the InChIKey of N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The InChIKey is HLNRNOMQSIWPPL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-11(2)16-19-17(12(3)21-25(4,23)24)22(20-16)14-9-5-7-13-8-6-10-18-15(13)14/h5-12,21H,1-4H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide has a molecular weight of 359.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 95131488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).