1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide

C14H21NOS — CID 68595567

IUPAC1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCCC1)c1cccs1
InChIInChI=1S/C14H21NOS/c1-11(12-7-6-10-17-12)15-13(16)14(2)8-4-3-5-9-14/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeySHKBSKBDKFOJKZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.90
Rot. Bonds3

About 1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide

1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide (PubChem CID 68595567) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide
PubChem CID68595567
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCCC1)c1cccs1
InChIInChI=1S/C14H21NOS/c1-11(12-7-6-10-17-12)15-13(16)14(2)8-4-3-5-9-14/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeySHKBSKBDKFOJKZ-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide (CID 68595567) is 1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide is CC(NC(=O)C1(C)CCCCC1)c1cccs1.
What is the InChIKey of 1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is SHKBSKBDKFOJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(12-7-6-10-17-12)15-13(16)14(2)8-4-3-5-9-14/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 251.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-thiophen-2-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 68595567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).