N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide

C14H14N2O3S — CID 155952101

IUPACN-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide
SMILESO=C(NS(=O)(=O)Cc1cccc2ncccc12)C1CC1
InChIInChI=1S/C14H14N2O3S/c17-14(10-6-7-10)16-20(18,19)9-11-3-1-5-13-12(11)4-2-8-15-13/h1-5,8,10H,6-7,9H2,(H,16,17)
InChIKeyRWUHTXIDFJFPQQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.59
Rot. Bonds4

About N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide

N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide (PubChem CID 155952101) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide
PubChem CID155952101
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide
SMILESO=C(NS(=O)(=O)Cc1cccc2ncccc12)C1CC1
InChIInChI=1S/C14H14N2O3S/c17-14(10-6-7-10)16-20(18,19)9-11-3-1-5-13-12(11)4-2-8-15-13/h1-5,8,10H,6-7,9H2,(H,16,17)
InChIKeyRWUHTXIDFJFPQQ-UHFFFAOYSA-N
XLogP1.59
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
ethane;5-ethylquinoline
CID 143401043
N-pyridin-2-ylsulfonylcyclopropanecarboxamide
CID 150675876
3-quinolin-5-ylpropanoic acid
CID 81224223
(1S,5R)-6,6-dimethyl-N-(pyridin-2-ylmethylsulfonyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 166268779
ethane;N-methyl-1-quinolin-5-ylmethanamine
CID 163296401
methyl 2-(azetidine-3-carbonylsulfamoylmethyl)benzoate
CID 141166082
(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide
CID 154795406
2-(cyclopropylamino)-N-quinolin-5-ylethanesulfonamide
CID 106057891
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
2-(cyclopentylamino)-1-quinolin-5-ylethanone
CID 116559111
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide?
The IUPAC name of N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide (CID 155952101) is N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide?
The canonical SMILES for N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide is O=C(NS(=O)(=O)Cc1cccc2ncccc12)C1CC1.
What is the InChIKey of N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide?
The InChIKey is RWUHTXIDFJFPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-14(10-6-7-10)16-20(18,19)9-11-3-1-5-13-12(11)4-2-8-15-13/h1-5,8,10H,6-7,9H2,(H,16,17).
What are the key properties of N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide?
N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-5-ylmethylsulfonyl)cyclopropanecarboxamide is sourced from PubChem (CID 155952101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).