N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide

C13H20N2O2S — CID 119404435

IUPACN-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCC2(N)CCCCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-17-10-7-11(18-8-10)12(16)15-9-13(14)5-3-2-4-6-13/h7-8H,2-6,9,14H2,1H3,(H,15,16)
InChIKeyBISBBYMVPYDGKU-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.15
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide

N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide (PubChem CID 119404435) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
PubChem CID119404435
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCC2(N)CCCCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-17-10-7-11(18-8-10)12(16)15-9-13(14)5-3-2-4-6-13/h7-8H,2-6,9,14H2,1H3,(H,15,16)
InChIKeyBISBBYMVPYDGKU-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114758141
N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide
CID 79465870
N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
CID 81119763
N-[1-(chloromethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide
CID 113272992
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide
CID 114168656
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
CID 81124116
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
CID 81118589
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 114147866
N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 81119658

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide (CID 119404435) is N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCC2(N)CCCCC2)c1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is BISBBYMVPYDGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-10-7-11(18-8-10)12(16)15-9-13(14)5-3-2-4-6-13/h7-8H,2-6,9,14H2,1H3,(H,15,16).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide?
N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 119404435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).