(2-aminocyclohexyl)-thiophen-3-ylmethanone

C11H15NOS — CID 116579819

IUPAC(2-aminocyclohexyl)-thiophen-3-ylmethanone
SMILESNC1CCCCC1C(=O)c1ccsc1
InChIInChI=1S/C11H15NOS/c12-10-4-2-1-3-9(10)11(13)8-5-6-14-7-8/h5-7,9-10H,1-4,12H2
InChIKeyFHSPLXGGKXMDHP-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.45
Rot. Bonds2

About (2-aminocyclohexyl)-thiophen-3-ylmethanone

(2-aminocyclohexyl)-thiophen-3-ylmethanone (PubChem CID 116579819) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (2-aminocyclohexyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-thiophen-3-ylmethanone
PubChem CID116579819
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(2-aminocyclohexyl)-thiophen-3-ylmethanone
SMILESNC1CCCCC1C(=O)c1ccsc1
InChIInChI=1S/C11H15NOS/c12-10-4-2-1-3-9(10)11(13)8-5-6-14-7-8/h5-7,9-10H,1-4,12H2
InChIKeyFHSPLXGGKXMDHP-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocycloheptyl)-thiophen-3-ylmethanone
CID 116595140
(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 64823608
1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 116579929
2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid
CID 123320476
(2-aminocyclohexyl)-(4-phenylphenyl)methanone
CID 116579817
1-(2-aminocyclopentyl)-2-thiophen-3-ylethanone
CID 116580255
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
CID 116595307
2-amino-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 64824650
(2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone
CID 116592037
(2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone
CID 116595147
(2-aminocyclopentyl)-thiophen-2-ylmethanone
CID 116580321
(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-3-ylmethanone
CID 5171625

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-thiophen-3-ylmethanone?
The IUPAC name of (2-aminocyclohexyl)-thiophen-3-ylmethanone (CID 116579819) is (2-aminocyclohexyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2-aminocyclohexyl)-thiophen-3-ylmethanone?
The canonical SMILES for (2-aminocyclohexyl)-thiophen-3-ylmethanone is NC1CCCCC1C(=O)c1ccsc1.
What is the InChIKey of (2-aminocyclohexyl)-thiophen-3-ylmethanone?
The InChIKey is FHSPLXGGKXMDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c12-10-4-2-1-3-9(10)11(13)8-5-6-14-7-8/h5-7,9-10H,1-4,12H2.
What are the key properties of (2-aminocyclohexyl)-thiophen-3-ylmethanone?
(2-aminocyclohexyl)-thiophen-3-ylmethanone has a molecular weight of 209.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 116579819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).