5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide

C12H19NO2S — CID 65259909

IUPAC5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide
SMILESCC(C)(CCCOCc1ccco1)C(N)=S
InChIInChI=1S/C12H19NO2S/c1-12(2,11(13)16)6-4-7-14-9-10-5-3-8-15-10/h3,5,8H,4,6-7,9H2,1-2H3,(H2,13,16)
InChIKeyYZRREZYEYQPFEQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.89
Rot. Bonds7

About 5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide

5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide (PubChem CID 65259909) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide.

Molecular Properties

Compound Name5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide
PubChem CID65259909
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide
SMILESCC(C)(CCCOCc1ccco1)C(N)=S
InChIInChI=1S/C12H19NO2S/c1-12(2,11(13)16)6-4-7-14-9-10-5-3-8-15-10/h3,5,8H,4,6-7,9H2,1-2H3,(H2,13,16)
InChIKeyYZRREZYEYQPFEQ-UHFFFAOYSA-N
XLogP2.89
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
2-[3-(furan-2-ylmethoxy)propoxy]aniline
CID 43174360
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
N-[2-(furan-2-ylmethoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62565570
2-(6-bromohexoxymethyl)furan
CID 86031197
tert-butyl 3-(furan-2-ylmethoxy)propanoate
CID 14833126
2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol
CID 81411518
methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate
CID 79622612
4-(furan-2-ylmethoxymethyl)benzenecarbothioamide
CID 24697058
3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276546
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide?
The IUPAC name of 5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide (CID 65259909) is 5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide.
What is the SMILES notation for 5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide?
The canonical SMILES for 5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide is CC(C)(CCCOCc1ccco1)C(N)=S.
What is the InChIKey of 5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide?
The InChIKey is YZRREZYEYQPFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,11(13)16)6-4-7-14-9-10-5-3-8-15-10/h3,5,8H,4,6-7,9H2,1-2H3,(H2,13,16).
What are the key properties of 5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide?
5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide has a molecular weight of 241.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide is sourced from PubChem (CID 65259909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).