hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline

C15H22N2O4S — CID 142246156

IUPAChydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline
SMILESCO[C@H](C)CCS(=O)(=O)Cc1cnc2ccccc2c1.NO
InChIInChI=1S/C15H19NO3S.H3NO/c1-12(19-2)7-8-20(17,18)11-13-9-14-5-3-4-6-15(14)16-10-13;1-2/h3-6,9-10,12H,7-8,11H2,1-2H3;2H,1H2/t12-;/m1./s1
InChIKeyDKJLVLSGYPESCJ-UTONKHPSSA-N
MW326.42 g/mol
LogP1.91
Rot. Bonds6

About hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline

hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline (PubChem CID 142246156) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline.

Molecular Properties

Compound Namehydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline
PubChem CID142246156
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Namehydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline
SMILESCO[C@H](C)CCS(=O)(=O)Cc1cnc2ccccc2c1.NO
InChIInChI=1S/C15H19NO3S.H3NO/c1-12(19-2)7-8-20(17,18)11-13-9-14-5-3-4-6-15(14)16-10-13;1-2/h3-6,9-10,12H,7-8,11H2,1-2H3;2H,1H2/t12-;/m1./s1
InChIKeyDKJLVLSGYPESCJ-UTONKHPSSA-N
XLogP1.91
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;3-[[(3R)-3-methoxybutyl]sulfanylmethyl]quinoline;propane
CID 142246165
3-(2-methylpropyl)quinoline
CID 12072851
2-methyl-3-quinolin-3-ylpropan-1-amine
CID 64664749
N-hydroxy-N-[(2S)-3-methyl-1-(quinolin-3-ylmethylsulfonyl)butan-2-yl]formamide;N-[3-methyl-1-(quinolin-3-ylmethylsulfonyl)butan-2-yl]hydroxylamine
CID 86591025
N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide
CID 87986689
6-methoxyhexyl-methylidene-oxo-(quinolin-3-ylmethyl)-λ6-sulfane
CID 142246181
(2S)-4-methyl-1-(quinolin-3-ylmethylsulfonyl)pentan-2-amine;2-[[(2S)-4-methyl-1-(quinolin-3-ylmethylsulfonyl)pentan-2-yl]amino]acetonitrile;dihydrochloride
CID 161250270
quinolin-3-ylmethyl acetate
CID 101032812
3-(7-propan-2-ylsulfonylheptyl)quinoline
CID 158614787
3-(3-chloro-4-methylpentyl)quinoline
CID 64508881
1-(quinolin-3-ylmethylamino)ethanol
CID 143559456
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline?
The IUPAC name of hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline (CID 142246156) is hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline.
What is the SMILES notation for hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline?
The canonical SMILES for hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline is CO[C@H](C)CCS(=O)(=O)Cc1cnc2ccccc2c1.NO.
What is the InChIKey of hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline?
The InChIKey is DKJLVLSGYPESCJ-UTONKHPSSA-N. The full InChI is InChI=1S/C15H19NO3S.H3NO/c1-12(19-2)7-8-20(17,18)11-13-9-14-5-3-4-6-15(14)16-10-13;1-2/h3-6,9-10,12H,7-8,11H2,1-2H3;2H,1H2/t12-;/m1./s1.
What are the key properties of hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline?
hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline has a molecular weight of 326.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline is sourced from PubChem (CID 142246156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).