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

C12H17N3O3S — CID 81124116

IUPACN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC2(C(N)=NO)CCCC2)c1
InChIInChI=1S/C12H17N3O3S/c1-18-8-6-9(19-7-8)10(16)14-12(11(13)15-17)4-2-3-5-12/h6-7,17H,2-5H2,1H3,(H2,13,15)(H,14,16)
InChIKeyUNYHEAKXXGOKLK-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.55
Rot. Bonds4

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

N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide (PubChem CID 81124116) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
PubChem CID81124116
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC2(C(N)=NO)CCCC2)c1
InChIInChI=1S/C12H17N3O3S/c1-18-8-6-9(19-7-8)10(16)14-12(11(13)15-17)4-2-3-5-12/h6-7,17H,2-5H2,1H3,(H2,13,15)(H,14,16)
InChIKeyUNYHEAKXXGOKLK-UHFFFAOYSA-N
XLogP1.55
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
CID 81119763
N-[1-(chloromethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide
CID 113272992
3-chloro-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-4-methylthiophene-2-carboxamide
CID 103404973
N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide
CID 79684643
N-[(1-aminocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 119404435
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
CID 76946958
5-chloro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]thiophene-2-carboxamide
CID 76938327
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide
CID 81124648
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671945
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide
CID 106753929
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114758141

Frequently Asked Questions

What is the IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide (CID 81124116) is N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NC2(C(N)=NO)CCCC2)c1.
What is the InChIKey of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is UNYHEAKXXGOKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-18-8-6-9(19-7-8)10(16)14-12(11(13)15-17)4-2-3-5-12/h6-7,17H,2-5H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide?
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81124116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).