1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone

C13H20N2OS — CID 103426543

IUPAC1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NC2CCC(C)CC2)cc1N
InChIInChI=1S/C13H20N2OS/c1-8-3-5-10(6-4-8)15-12-7-11(14)13(17-12)9(2)16/h7-8,10,15H,3-6,14H2,1-2H3
InChIKeyYVLVGMBRCPHLFW-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.52
Rot. Bonds3

About 1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone

1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone (PubChem CID 103426543) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone
PubChem CID103426543
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NC2CCC(C)CC2)cc1N
InChIInChI=1S/C13H20N2OS/c1-8-3-5-10(6-4-8)15-12-7-11(14)13(17-12)9(2)16/h7-8,10,15H,3-6,14H2,1-2H3
InChIKeyYVLVGMBRCPHLFW-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone with MolForge

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Related Compounds

ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate
CID 103426599
3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426608
3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427442
3-amino-N-cyclopropyl-5-(methylamino)thiophene-2-carboxamide
CID 103424255
methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate
CID 103426561
3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526087
1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone
CID 114098802
1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
1-[3-amino-5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]thiophen-2-yl]propan-1-one
CID 103508261
1-(3-amino-5-methylthiophen-2-yl)ethanone
CID 18731826
3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide
CID 106199168
1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone
CID 103508445

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone (CID 103426543) is 1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone is CC(=O)c1sc(NC2CCC(C)CC2)cc1N.
What is the InChIKey of 1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone?
The InChIKey is YVLVGMBRCPHLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-3-5-10(6-4-8)15-12-7-11(14)13(17-12)9(2)16/h7-8,10,15H,3-6,14H2,1-2H3.
What are the key properties of 1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone?
1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone has a molecular weight of 252.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone is sourced from PubChem (CID 103426543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).