4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide

C14H22N2OS — CID 114129368

IUPAC4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC2CCCC(C)C2)cc1N
InChIInChI=1S/C14H22N2OS/c1-9-4-3-5-11(6-9)8-16-14(17)13-7-12(15)10(2)18-13/h7,9,11H,3-6,8,15H2,1-2H3,(H,16,17)
InChIKeyOQHAKZHDXMXACE-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.19
Rot. Bonds3

About 4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide

4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide (PubChem CID 114129368) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide
PubChem CID114129368
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC2CCCC(C)C2)cc1N
InChIInChI=1S/C14H22N2OS/c1-9-4-3-5-11(6-9)8-16-14(17)13-7-12(15)10(2)18-13/h7,9,11H,3-6,8,15H2,1-2H3,(H,16,17)
InChIKeyOQHAKZHDXMXACE-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 113489277
4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide
CID 54959114
6-amino-N-[(3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103832143
4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
CID 61109172
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide
CID 107303203
(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 63624400
4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride
CID 119750288
4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide
CID 65310256
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764483

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide (CID 114129368) is 4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide is Cc1sc(C(=O)NCC2CCCC(C)C2)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide?
The InChIKey is OQHAKZHDXMXACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9-4-3-5-11(6-9)8-16-14(17)13-7-12(15)10(2)18-13/h7,9,11H,3-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide?
4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 114129368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).