N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide

C10H18N2O3S2 — CID 53464032

IUPACN'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide
SMILESN/C(COS(=O)(O)=S)=N\CC1CC2CCC1C2
InChIInChI=1S/C10H18N2O3S2/c11-10(6-15-17(13,14)16)12-5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H2,11,12)(H,13,14,16)
InChIKeyPQGFVOURRHRXKN-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.93
Rot. Bonds5

About N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide

N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide (PubChem CID 53464032) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide.

Molecular Properties

Compound NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide
PubChem CID53464032
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide
SMILESN/C(COS(=O)(O)=S)=N\CC1CC2CCC1C2
InChIInChI=1S/C10H18N2O3S2/c11-10(6-15-17(13,14)16)12-5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H2,11,12)(H,13,14,16)
InChIKeyPQGFVOURRHRXKN-UHFFFAOYSA-N
XLogP0.93
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide 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

2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide
CID 119120722
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine
CID 22894534
(1S,2S,4R)-2-[(1-amino-2-sulfosulfanylethylidene)amino]bicyclo[2.2.1]heptane
CID 92970667
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
O-(2-bicyclo[2.2.1]heptanylmethyl)hydroxylamine;hydrochloride
CID 67132086
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide
CID 77028264
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine
CID 161284558
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
3-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoropropane-1-sulfonic acid
CID 129061676
1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine
CID 116515206
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598

Frequently Asked Questions

What is the IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide?
The IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide (CID 53464032) is N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide.
What is the SMILES notation for N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide?
The canonical SMILES for N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide is N/C(COS(=O)(O)=S)=N\CC1CC2CCC1C2.
What is the InChIKey of N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide?
The InChIKey is PQGFVOURRHRXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c11-10(6-15-17(13,14)16)12-5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H2,11,12)(H,13,14,16).
What are the key properties of N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide?
N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide has a molecular weight of 278.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydroxysulfonothioyloxyethanimidamide is sourced from PubChem (CID 53464032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).