(2S)-2-(quinolin-8-ylsulfonylamino)butanediamide

C13H14N4O4S — CID 70062047

IUPAC(2S)-2-(quinolin-8-ylsulfonylamino)butanediamide
SMILESNC(=O)C[C@H](NS(=O)(=O)c1cccc2cccnc12)C(N)=O
InChIInChI=1S/C13H14N4O4S/c14-11(18)7-9(13(15)19)17-22(20,21)10-5-1-3-8-4-2-6-16-12(8)10/h1-6,9,17H,7H2,(H2,14,18)(H2,15,19)/t9-/m0/s1
InChIKeyTXQYJQWMHNYOTD-VIFPVBQESA-N
MW322.35 g/mol
LogP-0.76
Rot. Bonds6

About (2S)-2-(quinolin-8-ylsulfonylamino)butanediamide

(2S)-2-(quinolin-8-ylsulfonylamino)butanediamide (PubChem CID 70062047) has the molecular formula C13H14N4O4S and a molecular weight of 322.35 g/mol. Its IUPAC name is (2S)-2-(quinolin-8-ylsulfonylamino)butanediamide.

Molecular Properties

Compound Name(2S)-2-(quinolin-8-ylsulfonylamino)butanediamide
PubChem CID70062047
Molecular FormulaC13H14N4O4S
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC Name(2S)-2-(quinolin-8-ylsulfonylamino)butanediamide
SMILESNC(=O)C[C@H](NS(=O)(=O)c1cccc2cccnc12)C(N)=O
InChIInChI=1S/C13H14N4O4S/c14-11(18)7-9(13(15)19)17-22(20,21)10-5-1-3-8-4-2-6-16-12(8)10/h1-6,9,17H,7H2,(H2,14,18)(H2,15,19)/t9-/m0/s1
InChIKeyTXQYJQWMHNYOTD-VIFPVBQESA-N
XLogP-0.76
TPSA145.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
4-amino-2-(naphthalen-1-ylsulfonylamino)-4-oxobutanoic acid
CID 22476015
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593
3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42662381
(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide
CID 122490796
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-(2-amino-1-cyclopentylethyl)quinoline-8-sulfonamide;hydrochloride
CID 120584995
3-[(2S)-3-oxo-3-piperidin-1-yl-2-(quinolin-8-ylsulfonylamino)propyl]benzenecarboximidamide
CID 57303460
N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950529
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid
CID 24861288
[(1R)-1-amino-3-methylbutyl]boronic acid;(2S)-2-aminopropanoic acid;(2S)-3-naphthalen-1-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid
CID 20676067
methyl (2S,3S)-2-(benzylamino)-3-phenyl-3-(quinolin-8-ylsulfonylamino)propanoate
CID 102027679

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(quinolin-8-ylsulfonylamino)butanediamide?
The IUPAC name of (2S)-2-(quinolin-8-ylsulfonylamino)butanediamide (CID 70062047) is (2S)-2-(quinolin-8-ylsulfonylamino)butanediamide.
What is the SMILES notation for (2S)-2-(quinolin-8-ylsulfonylamino)butanediamide?
The canonical SMILES for (2S)-2-(quinolin-8-ylsulfonylamino)butanediamide is NC(=O)C[C@H](NS(=O)(=O)c1cccc2cccnc12)C(N)=O.
What is the InChIKey of (2S)-2-(quinolin-8-ylsulfonylamino)butanediamide?
The InChIKey is TXQYJQWMHNYOTD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N4O4S/c14-11(18)7-9(13(15)19)17-22(20,21)10-5-1-3-8-4-2-6-16-12(8)10/h1-6,9,17H,7H2,(H2,14,18)(H2,15,19)/t9-/m0/s1.
What are the key properties of (2S)-2-(quinolin-8-ylsulfonylamino)butanediamide?
(2S)-2-(quinolin-8-ylsulfonylamino)butanediamide has a molecular weight of 322.35 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(quinolin-8-ylsulfonylamino)butanediamide is sourced from PubChem (CID 70062047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).