3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide

C11H14ClN3O2S — CID 80642399

IUPAC3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
SMILESN/C(=N/O)C1CCCC1NC(=O)c1sccc1Cl
InChIInChI=1S/C11H14ClN3O2S/c12-7-4-5-18-9(7)11(16)14-8-3-1-2-6(8)10(13)15-17/h4-6,8,17H,1-3H2,(H2,13,15)(H,14,16)
InChIKeyJJCCFLXOEMVLLC-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.05
Rot. Bonds3

About 3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide

3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide (PubChem CID 80642399) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is 3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
PubChem CID80642399
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
SMILESN/C(=N/O)C1CCCC1NC(=O)c1sccc1Cl
InChIInChI=1S/C11H14ClN3O2S/c12-7-4-5-18-9(7)11(16)14-8-3-1-2-6(8)10(13)15-17/h4-6,8,17H,1-3H2,(H2,13,15)(H,14,16)
InChIKeyJJCCFLXOEMVLLC-UHFFFAOYSA-N
XLogP2.05
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978437
3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 106366820
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide
CID 122565327
3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
CID 122571729
4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978486
2-bromo-4-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 107992475
4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 80644088
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
CID 76978483
3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 154907992
cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 97031564
cis-(1S,2R)-2-[(3-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161410

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide (CID 80642399) is 3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide is N/C(=N/O)C1CCCC1NC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide?
The InChIKey is JJCCFLXOEMVLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c12-7-4-5-18-9(7)11(16)14-8-3-1-2-6(8)10(13)15-17/h4-6,8,17H,1-3H2,(H2,13,15)(H,14,16).
What are the key properties of 3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide?
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide has a molecular weight of 287.77 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 80642399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).