N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide

C13H20N2OS — CID 79111056

IUPACN-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
SMILESCNC1CCC(NC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C13H20N2OS/c1-14-11-2-4-12(5-3-11)15-13(16)8-10-6-7-17-9-10/h6-7,9,11-12,14H,2-5,8H2,1H3,(H,15,16)
InChIKeyFJSCJWBOBYHKEG-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.94
Rot. Bonds4

About N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide

N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide (PubChem CID 79111056) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
PubChem CID79111056
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
SMILESCNC1CCC(NC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C13H20N2OS/c1-14-11-2-4-12(5-3-11)15-13(16)8-10-6-7-17-9-10/h6-7,9,11-12,14H,2-5,8H2,1H3,(H,15,16)
InChIKeyFJSCJWBOBYHKEG-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide
CID 106995263
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide;hydrochloride
CID 120600805
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9417359
[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591089
N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
N-cyclopropyl-2-(thiophen-3-ylamino)acetamide
CID 66350850
N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
N-piperidin-4-yl-3-thiophen-3-ylpropanamide;hydrochloride
CID 119385872
N-(5-azaspiro[3.5]nonan-8-yl)-2-thiophen-3-ylacetamide
CID 43595149
1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine
CID 62407822
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide (CID 79111056) is N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide is CNC1CCC(NC(=O)Cc2ccsc2)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide?
The InChIKey is FJSCJWBOBYHKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-14-11-2-4-12(5-3-11)15-13(16)8-10-6-7-17-9-10/h6-7,9,11-12,14H,2-5,8H2,1H3,(H,15,16).
What are the key properties of N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide?
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide has a molecular weight of 252.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 79111056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).