2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide

C12H19N3OS — CID 113279219

IUPAC2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide
SMILESNC1CCC(NC(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C12H19N3OS/c13-8-3-5-9(6-4-8)15-12(16)11(14)10-2-1-7-17-10/h1-2,7-9,11H,3-6,13-14H2,(H,15,16)
InChIKeyLGONHBWFXARVHR-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.13
Rot. Bonds3

About 2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide

2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide (PubChem CID 113279219) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide
PubChem CID113279219
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide
SMILESNC1CCC(NC(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C12H19N3OS/c13-8-3-5-9(6-4-8)15-12(16)11(14)10-2-1-7-17-10/h1-2,7-9,11H,3-6,13-14H2,(H,15,16)
InChIKeyLGONHBWFXARVHR-UHFFFAOYSA-N
XLogP1.13
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287059
2-amino-N-(oxetan-3-yl)-2-thiophen-2-ylacetamide
CID 115287511
N-(1-acetylpiperidin-4-yl)-2-amino-2-thiophen-2-ylacetamide
CID 115286367
2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
CID 114096100
2-amino-N-(4-aminocyclohexyl)-2-phenylacetamide
CID 62320729
3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 115287229
2-amino-N-(6-oxopiperidin-3-yl)-2-thiophen-2-ylacetamide
CID 113279254
2-amino-N-(oxan-3-yl)-2-thiophen-2-ylacetamide
CID 115287272
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 115286975
ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
CID 115285967
2-amino-N-(dicyclopropylmethyl)-2-thiophen-2-ylacetamide
CID 115286946
2-amino-N-(cyclopentylmethyl)-2-thiophen-2-ylacetamide
CID 115286039

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide (CID 113279219) is 2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide is NC1CCC(NC(=O)C(N)c2cccs2)CC1.
What is the InChIKey of 2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide?
The InChIKey is LGONHBWFXARVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-8-3-5-9(6-4-8)15-12(16)11(14)10-2-1-7-17-10/h1-2,7-9,11H,3-6,13-14H2,(H,15,16).
What are the key properties of 2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide?
2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide has a molecular weight of 253.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113279219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).