N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine

C9H10ClNOS — CID 131008498

IUPACN-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine
SMILESClc1ccc(CON=C2CCC2)s1
InChIInChI=1S/C9H10ClNOS/c10-9-5-4-8(13-9)6-12-11-7-2-1-3-7/h4-5H,1-3,6H2
InChIKeyRUAUMNXYGYIPKK-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.46
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine

N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine (PubChem CID 131008498) has the molecular formula C9H10ClNOS and a molecular weight of 215.70 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine
PubChem CID131008498
Molecular FormulaC9H10ClNOS
Molecular Weight215.70 g/mol
Exact Mass215.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine
SMILESClc1ccc(CON=C2CCC2)s1
InChIInChI=1S/C9H10ClNOS/c10-9-5-4-8(13-9)6-12-11-7-2-1-3-7/h4-5H,1-3,6H2
InChIKeyRUAUMNXYGYIPKK-UHFFFAOYSA-N
XLogP3.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(phenoxymethyl)thiophene
CID 60655556
5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456156
1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine
CID 141141529
2-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 41340478
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
2-(5-chlorothiophen-2-yl)ethanethiol
CID 55275169
1-(5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
CID 83228817
(2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid
CID 104876424
4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline
CID 107498892
tert-butyl (5-chlorothiophen-2-yl)methyl carbonate
CID 175192164
(5-chlorothiophen-2-yl)methyl 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 55319076
N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide
CID 106043235

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine (CID 131008498) is N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine is Clc1ccc(CON=C2CCC2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine?
The InChIKey is RUAUMNXYGYIPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c10-9-5-4-8(13-9)6-12-11-7-2-1-3-7/h4-5H,1-3,6H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine?
N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine has a molecular weight of 215.70 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methoxy]cyclobutanimine is sourced from PubChem (CID 131008498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).