[1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite

C10H20FNS — CID 143981397

IUPAC[1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite
SMILESC=CCCNC(CC(C)CC)SF
InChIInChI=1S/C10H20FNS/c1-4-6-7-12-10(13-11)8-9(3)5-2/h4,9-10,12H,1,5-8H2,2-3H3
InChIKeyUZBINAYZTPKWAB-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.53
Rot. Bonds8

About [1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite

[1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite (PubChem CID 143981397) has the molecular formula C10H20FNS and a molecular weight of 205.34 g/mol. Its IUPAC name is [1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite.

Molecular Properties

Compound Name[1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite
PubChem CID143981397
Molecular FormulaC10H20FNS
Molecular Weight205.34 g/mol
Exact Mass205.13
IUPAC Name[1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite
SMILESC=CCCNC(CC(C)CC)SF
InChIInChI=1S/C10H20FNS/c1-4-6-7-12-10(13-11)8-9(3)5-2/h4,9-10,12H,1,5-8H2,2-3H3
InChIKeyUZBINAYZTPKWAB-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite?
The IUPAC name of [1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite (CID 143981397) is [1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite.
What is the SMILES notation for [1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite?
The canonical SMILES for [1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite is C=CCCNC(CC(C)CC)SF.
What is the InChIKey of [1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite?
The InChIKey is UZBINAYZTPKWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNS/c1-4-6-7-12-10(13-11)8-9(3)5-2/h4,9-10,12H,1,5-8H2,2-3H3.
What are the key properties of [1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite?
[1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite has a molecular weight of 205.34 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(but-3-enylamino)-3-methylpentyl] thiohypofluorite is sourced from PubChem (CID 143981397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).