1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone

C12H17NOS — CID 116557404

IUPAC1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone
SMILESNC1CCC(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C12H17NOS/c13-11-3-1-10(2-4-11)12(14)7-9-5-6-15-8-9/h5-6,8,10-11H,1-4,7,13H2
InChIKeyHGNMNIPMVBRSJJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.38
Rot. Bonds3

About 1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone

1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone (PubChem CID 116557404) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone
PubChem CID116557404
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone
SMILESNC1CCC(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C12H17NOS/c13-11-3-1-10(2-4-11)12(14)7-9-5-6-15-8-9/h5-6,8,10-11H,1-4,7,13H2
InChIKeyHGNMNIPMVBRSJJ-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone
CID 116557390
1-(azetidin-3-yl)-2-thiophen-3-ylethanone
CID 116583807
1-(2-aminocyclopentyl)-2-thiophen-3-ylethanone
CID 116580255
1-(4-aminocyclohexyl)-2-(3,4-difluorophenyl)ethanone
CID 116557426
trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 124591120
1-cyclobutyl-3-thiophen-3-ylpropan-1-one
CID 64981798
N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
CID 47102251
N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 18140749
(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66008131
1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65402918
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
4-cyclopentyl-1-thiophen-3-ylbutan-2-one
CID 61055455

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone (CID 116557404) is 1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone is NC1CCC(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone?
The InChIKey is HGNMNIPMVBRSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c13-11-3-1-10(2-4-11)12(14)7-9-5-6-15-8-9/h5-6,8,10-11H,1-4,7,13H2.
What are the key properties of 1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone?
1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone has a molecular weight of 223.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 116557404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).