N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide

C13H20N2OS — CID 79120887

IUPACN-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C13H20N2OS/c1-9-7-8-17-12(9)13(16)15(2)11-5-3-10(14)4-6-11/h7-8,10-11H,3-6,14H2,1-2H3
InChIKeyUWLCTOYPRNCXRN-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.40
Rot. Bonds2

About N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide

N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide (PubChem CID 79120887) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide
PubChem CID79120887
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C13H20N2OS/c1-9-7-8-17-12(9)13(16)15(2)11-5-3-10(14)4-6-11/h7-8,10-11H,3-6,14H2,1-2H3
InChIKeyUWLCTOYPRNCXRN-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110528
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide
CID 6599870
N,3-dimethyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 66570141
tert-butyl 4-[methyl-(3-methylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 66519861
3-amino-N-cyclopentyl-N-methylthiophene-2-carboxamide
CID 61094178
N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide
CID 79121701
N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
CID 81480735
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162
N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
CID 79121540
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide
CID 54996464
N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
CID 79121715

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide (CID 79120887) is N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(C)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is UWLCTOYPRNCXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-7-8-17-12(9)13(16)15(2)11-5-3-10(14)4-6-11/h7-8,10-11H,3-6,14H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide?
N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 79120887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).