4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide

C14H22N2OS — CID 61109172

IUPAC4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)CC2CCCCC2)cc1N
InChIInChI=1S/C14H22N2OS/c1-10-12(15)8-13(18-10)14(17)16(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9,15H2,1-2H3
InChIKeyUKYMAAXIQYLOGN-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.29
Rot. Bonds3

About 4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide

4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide (PubChem CID 61109172) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
PubChem CID61109172
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)CC2CCCCC2)cc1N
InChIInChI=1S/C14H22N2OS/c1-10-12(15)8-13(18-10)14(17)16(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9,15H2,1-2H3
InChIKeyUKYMAAXIQYLOGN-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide (CID 61109172) is 4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide is Cc1sc(C(=O)N(C)CC2CCCCC2)cc1N.
What is the InChIKey of 4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is UKYMAAXIQYLOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-12(15)8-13(18-10)14(17)16(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9,15H2,1-2H3.
What are the key properties of 4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide?
4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 61109172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).