N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide

C15H22N2O3S2 — CID 146520687

IUPACN-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide
SMILESCC(C)C(=O)COc1ccc(OC2CC(NS(C)=S)C2)nc1
InChIInChI=1S/C15H22N2O3S2/c1-10(2)14(18)9-19-12-4-5-15(16-8-12)20-13-6-11(7-13)17-22(3)21/h4-5,8,10-11,13,17H,6-7,9H2,1-3H3
InChIKeyAFWKTEZVDHPKHW-UHFFFAOYSA-N
MW342.49 g/mol
LogP1.81
Rot. Bonds8

About N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide

N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide (PubChem CID 146520687) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide.

Molecular Properties

Compound NameN-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide
PubChem CID146520687
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC NameN-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide
SMILESCC(C)C(=O)COc1ccc(OC2CC(NS(C)=S)C2)nc1
InChIInChI=1S/C15H22N2O3S2/c1-10(2)14(18)9-19-12-4-5-15(16-8-12)20-13-6-11(7-13)17-22(3)21/h4-5,8,10-11,13,17H,6-7,9H2,1-3H3
InChIKeyAFWKTEZVDHPKHW-UHFFFAOYSA-N
XLogP1.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide with MolForge

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Related Compounds

ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one
CID 142368291
1-[[6-[3-(1-sulfanylethylamino)cyclobutyl]oxy-3-pyridinyl]oxy]butan-2-one
CID 155321947
1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one
CID 146179421
N-tert-butyl-3-[[5-(2-methylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine
CID 146520477
3-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]oxy]-N-propan-2-ylcyclobutan-1-amine
CID 155215049
3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine
CID 134335610
ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen
CID 142409721
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
tert-butyl N-[3-[(5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamate
CID 175870913
2-cyclohexyloxy-5-methoxypyridine
CID 170010378
methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride
CID 91812449
1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one
CID 114520119

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide?
The IUPAC name of N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide (CID 146520687) is N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide.
What is the SMILES notation for N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide?
The canonical SMILES for N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide is CC(C)C(=O)COc1ccc(OC2CC(NS(C)=S)C2)nc1.
What is the InChIKey of N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide?
The InChIKey is AFWKTEZVDHPKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-10(2)14(18)9-19-12-4-5-15(16-8-12)20-13-6-11(7-13)17-22(3)21/h4-5,8,10-11,13,17H,6-7,9H2,1-3H3.
What are the key properties of N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide?
N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide has a molecular weight of 342.49 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide is sourced from PubChem (CID 146520687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).