N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide

C15H18N2O3S — CID 114749841

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide
SMILESO=S(=O)(NCC1(CCO)CC1)c1cccc2ncccc12
InChIInChI=1S/C15H18N2O3S/c18-10-8-15(6-7-15)11-17-21(19,20)14-5-1-4-13-12(14)3-2-9-16-13/h1-5,9,17-18H,6-8,10-11H2
InChIKeyPXXZKBUKWNJEQJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.68
Rot. Bonds6

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide (PubChem CID 114749841) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide
PubChem CID114749841
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide
SMILESO=S(=O)(NCC1(CCO)CC1)c1cccc2ncccc12
InChIInChI=1S/C15H18N2O3S/c18-10-8-15(6-7-15)11-17-21(19,20)14-5-1-4-13-12(14)3-2-9-16-13/h1-5,9,17-18H,6-8,10-11H2
InChIKeyPXXZKBUKWNJEQJ-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476
N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide
CID 115701460
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115455381
N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
CID 97096071
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide
CID 120666371
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
4-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773649

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide (CID 114749841) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide is O=S(=O)(NCC1(CCO)CC1)c1cccc2ncccc12.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide?
The InChIKey is PXXZKBUKWNJEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-10-8-15(6-7-15)11-17-21(19,20)14-5-1-4-13-12(14)3-2-9-16-13/h1-5,9,17-18H,6-8,10-11H2.
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide is sourced from PubChem (CID 114749841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).