2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide

C12H16FN3O2S2 — CID 103300682

IUPAC2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide
SMILESNC(=S)CN(C1CCCC1)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H16FN3O2S2/c13-10-6-3-7-15-12(10)20(17,18)16(8-11(14)19)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,14,19)
InChIKeyHAZHAHVRLALRSB-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.44
Rot. Bonds5

About 2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide

2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide (PubChem CID 103300682) has the molecular formula C12H16FN3O2S2 and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide.

Molecular Properties

Compound Name2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide
PubChem CID103300682
Molecular FormulaC12H16FN3O2S2
Molecular Weight317.41 g/mol
Exact Mass317.07
IUPAC Name2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide
SMILESNC(=S)CN(C1CCCC1)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H16FN3O2S2/c13-10-6-3-7-15-12(10)20(17,18)16(8-11(14)19)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,14,19)
InChIKeyHAZHAHVRLALRSB-UHFFFAOYSA-N
XLogP1.44
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide?
The IUPAC name of 2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide (CID 103300682) is 2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide.
What is the SMILES notation for 2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide?
The canonical SMILES for 2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide is NC(=S)CN(C1CCCC1)S(=O)(=O)c1ncccc1F.
What is the InChIKey of 2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide?
The InChIKey is HAZHAHVRLALRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2S2/c13-10-6-3-7-15-12(10)20(17,18)16(8-11(14)19)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,14,19).
What are the key properties of 2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide?
2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide has a molecular weight of 317.41 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide is sourced from PubChem (CID 103300682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).