2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide

C8H17N3OS — CID 121203714

IUPAC2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide
SMILESCCN(C/C(N)=N/O)C1CCSC1
InChIInChI=1S/C8H17N3OS/c1-2-11(5-8(9)10-12)7-3-4-13-6-7/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyBFGUHUUJMYUCHK-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.56
Rot. Bonds4

About 2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide

2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide (PubChem CID 121203714) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide
PubChem CID121203714
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Name2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide
SMILESCCN(C/C(N)=N/O)C1CCSC1
InChIInChI=1S/C8H17N3OS/c1-2-11(5-8(9)10-12)7-3-4-13-6-7/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyBFGUHUUJMYUCHK-UHFFFAOYSA-N
XLogP0.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.56
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(thiolan-3-yl)amino]ethanol
CID 121203695
2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine
CID 62482686
N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine
CID 79715670
2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79906347
5-[cyclopropyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 109374552
N'-hydroxy-2-[methyl(thiolan-3-yl)amino]propanimidamide
CID 76915090
2-[cyclopentyl-[2-(dimethylamino)ethyl]amino]-N'-hydroxyethanimidamide
CID 77037907
2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide
CID 77044952
2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide
CID 77044633
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
CID 76912585
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
[propyl(thiolan-3-yl)amino]methylphosphonic acid
CID 57268842

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide (CID 121203714) is 2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide is CCN(C/C(N)=N/O)C1CCSC1.
What is the InChIKey of 2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide?
The InChIKey is BFGUHUUJMYUCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-2-11(5-8(9)10-12)7-3-4-13-6-7/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of 2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide has a molecular weight of 203.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 121203714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).