N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide

C13H18N2OS — CID 922314

IUPACN-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide
SMILESCc1ccc(C=NNC(=O)C2CCCCC2)s1
InChIInChI=1S/C13H18N2OS/c1-10-7-8-12(17-10)9-14-15-13(16)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,16)
InChIKeyUMOXAQPQZLSCFW-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.09
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide

N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide (PubChem CID 922314) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide
PubChem CID922314
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide
SMILESCc1ccc(C=NNC(=O)C2CCCCC2)s1
InChIInChI=1S/C13H18N2OS/c1-10-7-8-12(17-10)9-14-15-13(16)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,16)
InChIKeyUMOXAQPQZLSCFW-UHFFFAOYSA-N
XLogP3.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
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

cis-(1R,2S)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40528188
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide
CID 9351587
[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5396200
1-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5217488
[(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5363938
N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
CID 6231530
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide (CID 922314) is N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide is Cc1ccc(C=NNC(=O)C2CCCCC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is UMOXAQPQZLSCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10-7-8-12(17-10)9-14-15-13(16)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,16).
What are the key properties of N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide?
N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 250.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 922314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).