5-(oxan-4-ylsulfanyl)pentanimidamide

C10H20N2OS — CID 62997331

IUPAC5-(oxan-4-ylsulfanyl)pentanimidamide
SMILES[H]/N=C(\N)CCCCSC1CCOCC1
InChIInChI=1S/C10H20N2OS/c11-10(12)3-1-2-8-14-9-4-6-13-7-5-9/h9H,1-8H2,(H3,11,12)
InChIKeyBZIJEMGWUYSYMV-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.00
Rot. Bonds6

About 5-(oxan-4-ylsulfanyl)pentanimidamide

5-(oxan-4-ylsulfanyl)pentanimidamide (PubChem CID 62997331) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 5-(oxan-4-ylsulfanyl)pentanimidamide.

Molecular Properties

Compound Name5-(oxan-4-ylsulfanyl)pentanimidamide
PubChem CID62997331
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name5-(oxan-4-ylsulfanyl)pentanimidamide
SMILES[H]/N=C(\N)CCCCSC1CCOCC1
InChIInChI=1S/C10H20N2OS/c11-10(12)3-1-2-8-14-9-4-6-13-7-5-9/h9H,1-8H2,(H3,11,12)
InChIKeyBZIJEMGWUYSYMV-UHFFFAOYSA-N
XLogP2.00
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

5-(oxan-4-ylmethoxy)pentanimidamide
CID 62383195
4-(oxan-4-ylsulfanyl)butanenitrile
CID 62995537
2-methyl-3-(oxan-4-ylsulfanyl)propanimidamide
CID 62996983
2-cyclopentylsulfanylethanimidamide
CID 63114985
octadecanediimidamide;dihydrochloride
CID 24741615
5-(3-hydroxypropylsulfanyl)pentanimidamide
CID 66113429
N-ethyl-4-(oxan-4-ylsulfanyl)butan-1-amine
CID 62991609
hept-6-ynimidamide
CID 13205709
(1,6-diamino-6-iminohexylidene)azanium
CID 156621618
2-(oxan-4-ylsulfanyl)propanimidamide
CID 62997159
2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane
CID 66473359
N-(5-amino-5-iminopentyl)morpholine-4-carboxamide
CID 79152083

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-ylsulfanyl)pentanimidamide?
The IUPAC name of 5-(oxan-4-ylsulfanyl)pentanimidamide (CID 62997331) is 5-(oxan-4-ylsulfanyl)pentanimidamide.
What is the SMILES notation for 5-(oxan-4-ylsulfanyl)pentanimidamide?
The canonical SMILES for 5-(oxan-4-ylsulfanyl)pentanimidamide is [H]/N=C(\N)CCCCSC1CCOCC1.
What is the InChIKey of 5-(oxan-4-ylsulfanyl)pentanimidamide?
The InChIKey is BZIJEMGWUYSYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c11-10(12)3-1-2-8-14-9-4-6-13-7-5-9/h9H,1-8H2,(H3,11,12).
What are the key properties of 5-(oxan-4-ylsulfanyl)pentanimidamide?
5-(oxan-4-ylsulfanyl)pentanimidamide has a molecular weight of 216.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-ylsulfanyl)pentanimidamide is sourced from PubChem (CID 62997331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).