N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide

C10H11N3OS — CID 114654780

IUPACN'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide
SMILESN/C(=N/O)c1cccn1Cc1ccsc1
InChIInChI=1S/C10H11N3OS/c11-10(12-14)9-2-1-4-13(9)6-8-3-5-15-7-8/h1-5,7,14H,6H2,(H2,11,12)
InChIKeyPFPNSPXZLHERPN-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.69
Rot. Bonds3

About N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide

N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide (PubChem CID 114654780) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide
PubChem CID114654780
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC NameN'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide
SMILESN/C(=N/O)c1cccn1Cc1ccsc1
InChIInChI=1S/C10H11N3OS/c11-10(12-14)9-2-1-4-13(9)6-8-3-5-15-7-8/h1-5,7,14H,6H2,(H2,11,12)
InChIKeyPFPNSPXZLHERPN-UHFFFAOYSA-N
XLogP1.69
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
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

1-(thiophen-3-ylmethyl)pyrrole-2-carbothioamide
CID 114654220
3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one
CID 116621489
N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide
CID 114654762
1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide
CID 114654865
N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide
CID 114654828
N'-hydroxy-1-methylpyrrole-2-carboximidamide
CID 22343319
N'-hydroxy-1-(oxan-4-ylmethyl)pyrrole-2-carboximidamide
CID 114654757
1-(3-ethylsulfanylpropyl)-N'-hydroxypyrrole-2-carboximidamide
CID 114654881
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
1-(1-methylpyrrol-2-yl)-3-thiophen-3-ylpropan-1-one
CID 163213463
N'-(2-thiophen-3-ylethyl)benzenecarboximidamide
CID 63177343
1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide
CID 114654700

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide (CID 114654780) is N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide is N/C(=N/O)c1cccn1Cc1ccsc1.
What is the InChIKey of N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide?
The InChIKey is PFPNSPXZLHERPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-10(12-14)9-2-1-4-13(9)6-8-3-5-15-7-8/h1-5,7,14H,6H2,(H2,11,12).
What are the key properties of N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide?
N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide has a molecular weight of 221.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide is sourced from PubChem (CID 114654780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).