2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C14H20N2OS — CID 843789

IUPAC2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNc1sc2c(c1C(=O)NC1CCCCC1)CCC2
InChIInChI=1S/C14H20N2OS/c15-13-12(10-7-4-8-11(10)18-13)14(17)16-9-5-2-1-3-6-9/h9H,1-8,15H2,(H,16,17)
InChIKeyXEJNRRYSUJAWRB-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.88
Rot. Bonds2

About 2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 843789) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID843789
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNc1sc2c(c1C(=O)NC1CCCCC1)CCC2
InChIInChI=1S/C14H20N2OS/c15-13-12(10-7-4-8-11(10)18-13)14(17)16-9-5-2-1-3-6-9/h9H,1-8,15H2,(H,16,17)
InChIKeyXEJNRRYSUJAWRB-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide
CID 17371220
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 5151249
1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
CID 65354676
(1S,2S,3R,4R)-3-[[3-(cyclohexylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 27527005
6-[[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17377086
cis-(1S,2R)-2-[[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27520568
(2R)-N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]oxolane-2-carboxamide
CID 42546248
2-(cyclohexylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4684992
2-amino-N'-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbohydrazide
CID 54587438
2-amino-N-(3-methoxypropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide;hydrochloride
CID 84818761
(1R,2S,3S,4R)-3-[[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124712654
(1S,2R,3S,4S)-3-[[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98300402

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 843789) is 2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2.
What is the InChIKey of 2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is XEJNRRYSUJAWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-13-12(10-7-4-8-11(10)18-13)14(17)16-9-5-2-1-3-6-9/h9H,1-8,15H2,(H,16,17).
What are the key properties of 2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 843789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).