3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide

C10H14BrN3O2S2 — CID 55101589

IUPAC3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide
SMILESCCC(CC(N)=S)NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C10H14BrN3O2S2/c1-2-8(4-10(12)17)14-18(15,16)9-3-7(11)5-13-6-9/h3,5-6,8,14H,2,4H2,1H3,(H2,12,17)
InChIKeyOLEUGMCZMOFIGK-UHFFFAOYSA-N
MW352.28 g/mol
LogP1.58
Rot. Bonds6

About 3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide

3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide (PubChem CID 55101589) has the molecular formula C10H14BrN3O2S2 and a molecular weight of 352.28 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide
PubChem CID55101589
Molecular FormulaC10H14BrN3O2S2
Molecular Weight352.28 g/mol
Exact Mass350.97
IUPAC Name3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide
SMILESCCC(CC(N)=S)NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C10H14BrN3O2S2/c1-2-8(4-10(12)17)14-18(15,16)9-3-7(11)5-13-6-9/h3,5-6,8,14H,2,4H2,1H3,(H2,12,17)
InChIKeyOLEUGMCZMOFIGK-UHFFFAOYSA-N
XLogP1.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 51.58
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

3-[(3-bromophenyl)sulfonylamino]pentanethioamide
CID 55101638
5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide
CID 115650475
3-[(2,5-dibromo-4-methylphenyl)sulfonylamino]pentanethioamide
CID 81327479
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
CID 106288581
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65048630
5-bromo-N-ethoxypyridine-3-sulfonamide
CID 64973872
3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide
CID 55101734
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64557037

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide (CID 55101589) is 3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide is CCC(CC(N)=S)NS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide?
The InChIKey is OLEUGMCZMOFIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S2/c1-2-8(4-10(12)17)14-18(15,16)9-3-7(11)5-13-6-9/h3,5-6,8,14H,2,4H2,1H3,(H2,12,17).
What are the key properties of 3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide?
3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide has a molecular weight of 352.28 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide is sourced from PubChem (CID 55101589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).