N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide

C13H18IN3O2S — CID 79684643

IUPACN-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide
SMILESNC(=NO)C1(NC(=O)c2csc(I)c2)CCCCCC1
InChIInChI=1S/C13H18IN3O2S/c14-10-7-9(8-20-10)11(18)16-13(12(15)17-19)5-3-1-2-4-6-13/h7-8,19H,1-6H2,(H2,15,17)(H,16,18)
InChIKeyHPIUFJJEXMUMBD-UHFFFAOYSA-N
MW407.28 g/mol
LogP2.92
Rot. Bonds3

About N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide

N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide (PubChem CID 79684643) has the molecular formula C13H18IN3O2S and a molecular weight of 407.28 g/mol. Its IUPAC name is N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide
PubChem CID79684643
Molecular FormulaC13H18IN3O2S
Molecular Weight407.28 g/mol
Exact Mass407.02
IUPAC NameN-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide
SMILESNC(=NO)C1(NC(=O)c2csc(I)c2)CCCCCC1
InChIInChI=1S/C13H18IN3O2S/c14-10-7-9(8-20-10)11(18)16-13(12(15)17-19)5-3-1-2-4-6-13/h7-8,19H,1-6H2,(H2,15,17)(H,16,18)
InChIKeyHPIUFJJEXMUMBD-UHFFFAOYSA-N
XLogP2.92
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-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-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-iodothiophene-3-carboxamide
CID 79684560
N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 79693305
3-chloro-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-4-methylthiophene-2-carboxamide
CID 103404973
N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide
CID 78949949
N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide
CID 104671949
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
CID 81124116
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide
CID 106753929
3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide
CID 107940507
N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide
CID 78950202
4-bromo-3-fluoro-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]benzamide
CID 76914012
5-chloro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]thiophene-2-carboxamide
CID 76938327
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-iodothiophene-3-carboxamide
CID 79684073

Frequently Asked Questions

What is the IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide (CID 79684643) is N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide is NC(=NO)C1(NC(=O)c2csc(I)c2)CCCCCC1.
What is the InChIKey of N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide?
The InChIKey is HPIUFJJEXMUMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3O2S/c14-10-7-9(8-20-10)11(18)16-13(12(15)17-19)5-3-1-2-4-6-13/h7-8,19H,1-6H2,(H2,15,17)(H,16,18).
What are the key properties of N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide?
N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide has a molecular weight of 407.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79684643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).