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

C13H20N2OS — CID 81408620

IUPAC4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCC(N)CC1)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-9(12-3-2-8-17-12)15-13(16)10-4-6-11(14)7-5-10/h2-3,8-11H,4-7,14H2,1H3,(H,15,16)/t9-,10?,11?/m1/s1
InChIKeyMYFMZHMRNOLIPM-KPPDAEKUSA-N
MW252.38 g/mol
LogP2.44
Rot. Bonds3

About 4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide

4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide (PubChem CID 81408620) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
PubChem CID81408620
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCC(N)CC1)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-9(12-3-2-8-17-12)15-13(16)10-4-6-11(14)7-5-10/h2-3,8-11H,4-7,14H2,1H3,(H,15,16)/t9-,10?,11?/m1/s1
InChIKeyMYFMZHMRNOLIPM-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

N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
2-amino-N-(1-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64822918
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408900
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 68596245
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785
4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81376555
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide (CID 81408620) is 4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1CCC(N)CC1)c1cccs1.
What is the InChIKey of 4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is MYFMZHMRNOLIPM-KPPDAEKUSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(12-3-2-8-17-12)15-13(16)10-4-6-11(14)7-5-10/h2-3,8-11H,4-7,14H2,1H3,(H,15,16)/t9-,10?,11?/m1/s1.
What are the key properties of 4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide?
4-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 4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81408620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).