2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide

C14H22N2OS — CID 64755354

IUPAC2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESCC1CCC(C)C(NCc2cccs2)(C(N)=O)C1
InChIInChI=1S/C14H22N2OS/c1-10-5-6-11(2)14(8-10,13(15)17)16-9-12-4-3-7-18-12/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyYQBNNSPNJPHMHW-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.52
Rot. Bonds4

About 2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide

2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide (PubChem CID 64755354) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
PubChem CID64755354
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESCC1CCC(C)C(NCc2cccs2)(C(N)=O)C1
InChIInChI=1S/C14H22N2OS/c1-10-5-6-11(2)14(8-10,13(15)17)16-9-12-4-3-7-18-12/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyYQBNNSPNJPHMHW-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 103563331
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 65085259
3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891663
methyl 3-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54894920
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
3,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64752302
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 65085265
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800
1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 64551642

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide (CID 64755354) is 2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide is CC1CCC(C)C(NCc2cccs2)(C(N)=O)C1.
What is the InChIKey of 2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The InChIKey is YQBNNSPNJPHMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-5-6-11(2)14(8-10,13(15)17)16-9-12-4-3-7-18-12/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 64755354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).