2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide

C13H20N2OS — CID 81408900

IUPAC2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1N)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h4,7-11H,2-3,5-6,14H2,1H3,(H,15,16)/t9-,10?,11?/m1/s1
InChIKeyVQBLCJJZZILWHY-KPPDAEKUSA-N
MW252.38 g/mol
LogP2.44
Rot. Bonds3

About 2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide

2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide (PubChem CID 81408900) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
PubChem CID81408900
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1N)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h4,7-11H,2-3,5-6,14H2,1H3,(H,15,16)/t9-,10?,11?/m1/s1
InChIKeyVQBLCJJZZILWHY-KPPDAEKUSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64822918
2-amino-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824515
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 64823053
2-amino-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 64824650
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81355949
N-(1-thiophen-2-ylethyl)azepane-2-carboxamide
CID 64563977
2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 81380549
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81365382

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide (CID 81408900) is 2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1CCCCC1N)c1cccs1.
What is the InChIKey of 2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is VQBLCJJZZILWHY-KPPDAEKUSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h4,7-11H,2-3,5-6,14H2,1H3,(H,15,16)/t9-,10?,11?/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide?
2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81408900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).