4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one

C12H17NOS — CID 79120186

IUPAC4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
SMILESCN(Cc1cccs1)C1CCC(=O)CC1
InChIInChI=1S/C12H17NOS/c1-13(9-12-3-2-8-15-12)10-4-6-11(14)7-5-10/h2-3,8,10H,4-7,9H2,1H3
InChIKeyPDCBQZMGSLNKOA-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.69
Rot. Bonds3

About 4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one

4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one (PubChem CID 79120186) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
PubChem CID79120186
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
SMILESCN(Cc1cccs1)C1CCC(=O)CC1
InChIInChI=1S/C12H17NOS/c1-13(9-12-3-2-8-15-12)10-4-6-11(14)7-5-10/h2-3,8,10H,4-7,9H2,1H3
InChIKeyPDCBQZMGSLNKOA-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one
CID 117039753
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
CID 114762644
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one (CID 79120186) is 4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one is CN(Cc1cccs1)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one?
The InChIKey is PDCBQZMGSLNKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-13(9-12-3-2-8-15-12)10-4-6-11(14)7-5-10/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one?
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one has a molecular weight of 223.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79120186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).