2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C11H16BrN3OS — CID 77071211

IUPAC2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CNCc2ccc(Br)s2)CC1)=NO
InChIInChI=1S/C11H16BrN3OS/c12-9-2-1-8(17-9)6-14-7-11(3-4-11)5-10(13)15-16/h1-2,14,16H,3-7H2,(H2,13,15)
InChIKeyKMQYUIFHCXIQQY-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.52
Rot. Bonds6

About 2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071211) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071211
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CNCc2ccc(Br)s2)CC1)=NO
InChIInChI=1S/C11H16BrN3OS/c12-9-2-1-8(17-9)6-14-7-11(3-4-11)5-10(13)15-16/h1-2,14,16H,3-7H2,(H2,13,15)
InChIKeyKMQYUIFHCXIQQY-UHFFFAOYSA-N
XLogP2.52
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.52
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'}

Analyze 2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide
CID 77030355
N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
CID 104874274
N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
CID 106418436
N-[(5-bromothiophen-2-yl)methyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80594461
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243640
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66023790
methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247559
N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide
CID 77071831
2-[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070910
1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
CID 115121348
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 106012052

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071211) is 2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(CNCc2ccc(Br)s2)CC1)=NO.
What is the InChIKey of 2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is KMQYUIFHCXIQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c12-9-2-1-8(17-9)6-14-7-11(3-4-11)5-10(13)15-16/h1-2,14,16H,3-7H2,(H2,13,15).
What are the key properties of 2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 318.24 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).