N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide

C10H21N3O2S — CID 104864689

IUPACN'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide
SMILESNC(CCCCNC1CCS(=O)CC1)=NO
InChIInChI=1S/C10H21N3O2S/c11-10(13-14)3-1-2-6-12-9-4-7-16(15)8-5-9/h9,12,14H,1-8H2,(H2,11,13)
InChIKeyGQQUUBPXXIEYIP-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.40
Rot. Bonds6

About N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide

N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide (PubChem CID 104864689) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide
PubChem CID104864689
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC NameN'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide
SMILESNC(CCCCNC1CCS(=O)CC1)=NO
InChIInChI=1S/C10H21N3O2S/c11-10(13-14)3-1-2-6-12-9-4-7-16(15)8-5-9/h9,12,14H,1-8H2,(H2,11,13)
InChIKeyGQQUUBPXXIEYIP-UHFFFAOYSA-N
XLogP0.40
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide (CID 104864689) is N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide is NC(CCCCNC1CCS(=O)CC1)=NO.
What is the InChIKey of N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide?
The InChIKey is GQQUUBPXXIEYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c11-10(13-14)3-1-2-6-12-9-4-7-16(15)8-5-9/h9,12,14H,1-8H2,(H2,11,13).
What are the key properties of N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide?
N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide has a molecular weight of 247.36 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide is sourced from PubChem (CID 104864689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).