N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide

C12H18N2O2S — CID 81119763

IUPACN-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C12H18N2O2S/c1-16-9-6-10(17-7-9)11(15)14-12(8-13)4-2-3-5-12/h6-7H,2-5,8,13H2,1H3,(H,14,15)
InChIKeyHFEKPFBUXSFGRM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.76
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide

N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide (PubChem CID 81119763) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
PubChem CID81119763
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C12H18N2O2S/c1-16-9-6-10(17-7-9)11(15)14-12(8-13)4-2-3-5-12/h6-7H,2-5,8,13H2,1H3,(H,14,15)
InChIKeyHFEKPFBUXSFGRM-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(chloromethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide
CID 113272992
2-N-[1-(aminomethyl)cyclopentyl]thiophene-2,4-dicarboxamide
CID 119567462
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
CID 81124116
N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 119404435
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-methoxybenzamide
CID 103806873
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide
CID 119568346
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114758141
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
N-(1-iodo-3-methylbutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 107860185
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
CID 63889365
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide (CID 81119763) is N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NC2(CN)CCCC2)c1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is HFEKPFBUXSFGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-16-9-6-10(17-7-9)11(15)14-12(8-13)4-2-3-5-12/h6-7H,2-5,8,13H2,1H3,(H,14,15).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81119763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).