1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide

C11H19N3O3S — CID 104864785

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC2CCS(=O)CC2)CCC1
InChIInChI=1S/C11H19N3O3S/c12-9(14-16)11(4-1-5-11)10(15)13-8-2-6-18(17)7-3-8/h8,16H,1-7H2,(H2,12,14)(H,13,15)
InChIKeyGOUPYDNZPVNUOX-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.07
Rot. Bonds3

About 1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide (PubChem CID 104864785) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide
PubChem CID104864785
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC2CCS(=O)CC2)CCC1
InChIInChI=1S/C11H19N3O3S/c12-9(14-16)11(4-1-5-11)10(15)13-8-2-6-18(17)7-3-8/h8,16H,1-7H2,(H2,12,14)(H,13,15)
InChIKeyGOUPYDNZPVNUOX-UHFFFAOYSA-N
XLogP-0.07
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.07
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-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-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590677
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
1-(N'-hydroxycarbamimidoyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclobutane-1-carboxamide
CID 80599735
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-4-yl)cycloheptane-1-carboxamide
CID 76919669
N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76921140
N-(1,1-dioxothian-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80594289
N-(1-cyclopropylpyrrolidin-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597560
1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104861594
N-(2,3-dihydro-1H-inden-2-yl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 107856124
1-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 80597646
N-(2,2-dimethylcyclopropyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597343
N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide
CID 80597473

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide (CID 104864785) is 1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide is NC(=NO)C1(C(=O)NC2CCS(=O)CC2)CCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide?
The InChIKey is GOUPYDNZPVNUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c12-9(14-16)11(4-1-5-11)10(15)13-8-2-6-18(17)7-3-8/h8,16H,1-7H2,(H2,12,14)(H,13,15).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide has a molecular weight of 273.36 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 104864785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).