N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide

C12H25N3OS — CID 106711687

IUPACN'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide
SMILESCC(C)(CCCCNC1CCSC1)C(N)=NO
InChIInChI=1S/C12H25N3OS/c1-12(2,11(13)15-16)6-3-4-7-14-10-5-8-17-9-10/h10,14,16H,3-9H2,1-2H3,(H2,13,15)
InChIKeyHWJSIZMRHPWMRO-UHFFFAOYSA-N
MW259.42 g/mol
LogP2.02
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide

N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide (PubChem CID 106711687) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide
PubChem CID106711687
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide
SMILESCC(C)(CCCCNC1CCSC1)C(N)=NO
InChIInChI=1S/C12H25N3OS/c1-12(2,11(13)15-16)6-3-4-7-14-10-5-8-17-9-10/h10,14,16H,3-9H2,1-2H3,(H2,13,15)
InChIKeyHWJSIZMRHPWMRO-UHFFFAOYSA-N
XLogP2.02
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 52.02
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'}

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Related Compounds

5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77075432
N-(4,4-dimethylpentyl)thiolan-3-amine
CID 115891448
5-(thiolan-3-ylamino)pentanamide
CID 106233737
6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711286
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
N-pentylthiolan-3-amine
CID 43177655
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide
CID 104937631
6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711016
4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062138
N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
CID 106136295
N'-hydroxy-2,2-dimethyl-6-[2-(4-methylcyclohexyl)ethylamino]hexanimidamide
CID 106711176
5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063648

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide (CID 106711687) is N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide is CC(C)(CCCCNC1CCSC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide?
The InChIKey is HWJSIZMRHPWMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-12(2,11(13)15-16)6-3-4-7-14-10-5-8-17-9-10/h10,14,16H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide has a molecular weight of 259.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide is sourced from PubChem (CID 106711687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).