N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide

C13H19NOS — CID 115880667

IUPACN-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C13H19NOS/c1-9-5-7-16-11(9)12(15)14-10-4-6-13(2,3)8-10/h5,7,10H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyXAWXQQAHNKXFGY-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.37
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide

N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide (PubChem CID 115880667) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide
PubChem CID115880667
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C13H19NOS/c1-9-5-7-16-11(9)12(15)14-10-4-6-13(2,3)8-10/h5,7,10H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyXAWXQQAHNKXFGY-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 114550410
3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 47114392
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
N-(3,3-dimethylcyclopentyl)-4-methylthiophene-3-carboxamide
CID 115881864
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide
CID 97397443
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
CID 30768194
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 114550416
N-(3,3-dimethylcyclopentyl)-3-methyl-4-(methylamino)benzamide
CID 114540797
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide (CID 115880667) is N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide?
The InChIKey is XAWXQQAHNKXFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-5-7-16-11(9)12(15)14-10-4-6-13(2,3)8-10/h5,7,10H,4,6,8H2,1-3H3,(H,14,15).
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide?
N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 115880667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).