2-(2-cyclobutylethoxy)butanethioamide

C10H19NOS — CID 106201819

IUPAC2-(2-cyclobutylethoxy)butanethioamide
SMILESCCC(OCCC1CCC1)C(N)=S
InChIInChI=1S/C10H19NOS/c1-2-9(10(11)13)12-7-6-8-4-3-5-8/h8-9H,2-7H2,1H3,(H2,11,13)
InChIKeyZYLZJPDXEDKEQR-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.26
Rot. Bonds6

About 2-(2-cyclobutylethoxy)butanethioamide

2-(2-cyclobutylethoxy)butanethioamide (PubChem CID 106201819) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)butanethioamide.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)butanethioamide
PubChem CID106201819
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-(2-cyclobutylethoxy)butanethioamide
SMILESCCC(OCCC1CCC1)C(N)=S
InChIInChI=1S/C10H19NOS/c1-2-9(10(11)13)12-7-6-8-4-3-5-8/h8-9H,2-7H2,1H3,(H2,11,13)
InChIKeyZYLZJPDXEDKEQR-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopropylethoxy)propanethioamide
CID 106201781
O-(2-cyclohexylethyl) ethanethioate
CID 101381755
methyl 2-(2-cyclobutylethoxy)propanoate
CID 106199364
2-(2-cyclobutylethoxy)pentan-1-amine
CID 106206218
4-(2-cyclohexylethoxy)hexan-3-ol
CID 143882427
2-(2-cyclobutylethoxy)-N-methylpentan-1-amine
CID 106206035
2-(2-cyclobutylethoxy)propanehydrazide
CID 106206540
2-propan-2-yloxyethylcycloheptane
CID 123201160
(2S)-1-(2-cyclobutylethoxy)propan-2-ol
CID 106204019
2-(2-cyclobutylethoxy)-1-phenylbutan-1-amine
CID 106201059
4-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 114158146
2-(2-cyclobutylethoxy)-3-methylbutanehydrazide
CID 106206560

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)butanethioamide?
The IUPAC name of 2-(2-cyclobutylethoxy)butanethioamide (CID 106201819) is 2-(2-cyclobutylethoxy)butanethioamide.
What is the SMILES notation for 2-(2-cyclobutylethoxy)butanethioamide?
The canonical SMILES for 2-(2-cyclobutylethoxy)butanethioamide is CCC(OCCC1CCC1)C(N)=S.
What is the InChIKey of 2-(2-cyclobutylethoxy)butanethioamide?
The InChIKey is ZYLZJPDXEDKEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-2-9(10(11)13)12-7-6-8-4-3-5-8/h8-9H,2-7H2,1H3,(H2,11,13).
What are the key properties of 2-(2-cyclobutylethoxy)butanethioamide?
2-(2-cyclobutylethoxy)butanethioamide has a molecular weight of 201.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)butanethioamide is sourced from PubChem (CID 106201819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).