2-(quinolin-5-ylsulfonylamino)pentanethioamide

C14H17N3O2S2 — CID 104773636

IUPAC2-(quinolin-5-ylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)c1cccc2ncccc12)C(N)=S
InChIInChI=1S/C14H17N3O2S2/c1-2-5-12(14(15)20)17-21(18,19)13-8-3-7-11-10(13)6-4-9-16-11/h3-4,6-9,12,17H,2,5H2,1H3,(H2,15,20)
InChIKeyHSIPECDAYPYXLO-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.97
Rot. Bonds6

About 2-(quinolin-5-ylsulfonylamino)pentanethioamide

2-(quinolin-5-ylsulfonylamino)pentanethioamide (PubChem CID 104773636) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(quinolin-5-ylsulfonylamino)pentanethioamide.

Molecular Properties

Compound Name2-(quinolin-5-ylsulfonylamino)pentanethioamide
PubChem CID104773636
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-(quinolin-5-ylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)c1cccc2ncccc12)C(N)=S
InChIInChI=1S/C14H17N3O2S2/c1-2-5-12(14(15)20)17-21(18,19)13-8-3-7-11-10(13)6-4-9-16-11/h3-4,6-9,12,17H,2,5H2,1H3,(H2,15,20)
InChIKeyHSIPECDAYPYXLO-UHFFFAOYSA-N
XLogP1.97
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanobutyl)quinoline-5-sulfonamide
CID 115755821
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783
N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
CID 97096071
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
2-methyl-2-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773637
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
2-(quinolin-5-ylsulfonylamino)propanimidamide
CID 104774334
(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
CID 94812620
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide
CID 61124839

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-5-ylsulfonylamino)pentanethioamide?
The IUPAC name of 2-(quinolin-5-ylsulfonylamino)pentanethioamide (CID 104773636) is 2-(quinolin-5-ylsulfonylamino)pentanethioamide.
What is the SMILES notation for 2-(quinolin-5-ylsulfonylamino)pentanethioamide?
The canonical SMILES for 2-(quinolin-5-ylsulfonylamino)pentanethioamide is CCCC(NS(=O)(=O)c1cccc2ncccc12)C(N)=S.
What is the InChIKey of 2-(quinolin-5-ylsulfonylamino)pentanethioamide?
The InChIKey is HSIPECDAYPYXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-2-5-12(14(15)20)17-21(18,19)13-8-3-7-11-10(13)6-4-9-16-11/h3-4,6-9,12,17H,2,5H2,1H3,(H2,15,20).
What are the key properties of 2-(quinolin-5-ylsulfonylamino)pentanethioamide?
2-(quinolin-5-ylsulfonylamino)pentanethioamide has a molecular weight of 323.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-5-ylsulfonylamino)pentanethioamide is sourced from PubChem (CID 104773636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).