S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine

C7H15NOS — CID 145191458

IUPACS-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine
SMILESCOC(CSN)C1CCC1
InChIInChI=1S/C7H15NOS/c1-9-7(5-10-8)6-3-2-4-6/h6-7H,2-5,8H2,1H3
InChIKeyXIYXSHYQSBXBSH-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.41
Rot. Bonds4

About S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine

S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine (PubChem CID 145191458) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine
PubChem CID145191458
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameS-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine
SMILESCOC(CSN)C1CCC1
InChIInChI=1S/C7H15NOS/c1-9-7(5-10-8)6-3-2-4-6/h6-7H,2-5,8H2,1H3
InChIKeyXIYXSHYQSBXBSH-UHFFFAOYSA-N
XLogP1.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-1-methoxyethyl)cyclopentane
CID 122164136
2-cyclopropyl-2-methoxyethanamine
CID 66072378
methyl 2-cyclobutyl-3-methylsulfanylpropanoate
CID 117245749
1-(2-cyclopropyl-2-methoxyethyl)-1-methylhydrazine
CID 105428683
1-cyclopentyl-2-methylsulfanylethanamine
CID 62691520
(2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride
CID 125041504
2-methoxy-2-piperidin-3-ylethanamine
CID 105431059
1-cyclobutyl-2-cyclopropyl-2-methoxyethanamine
CID 116722033
3-methoxy-3-(1-methylpiperidin-3-yl)propan-1-amine
CID 105442328
(2R)-2-aminooxy-2-cyclopentylethanol
CID 125041563
1-methoxyethylcyclooctane
CID 58445596
methyl 3-cyclopropyl-3-methoxypropanoate
CID 10313241

Frequently Asked Questions

What is the IUPAC name of S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine?
The IUPAC name of S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine (CID 145191458) is S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine.
What is the SMILES notation for S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine?
The canonical SMILES for S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine is COC(CSN)C1CCC1.
What is the InChIKey of S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine?
The InChIKey is XIYXSHYQSBXBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-9-7(5-10-8)6-3-2-4-6/h6-7H,2-5,8H2,1H3.
What are the key properties of S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine?
S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine has a molecular weight of 161.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine is sourced from PubChem (CID 145191458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).