N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine

C14H27NO3S — CID 64851363

IUPACN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine
SMILESCC(C)COC1CC(NC2CCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C14H27NO3S/c1-10(2)8-18-13-7-12(14(13,3)4)15-11-5-6-19(16,17)9-11/h10-13,15H,5-9H2,1-4H3
InChIKeyCTQDLZJVTFTQFC-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.60
Rot. Bonds5

About N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine (PubChem CID 64851363) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine
PubChem CID64851363
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine
SMILESCC(C)COC1CC(NC2CCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C14H27NO3S/c1-10(2)8-18-13-7-12(14(13,3)4)15-11-5-6-19(16,17)9-11/h10-13,15H,5-9H2,1-4H3
InChIKeyCTQDLZJVTFTQFC-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine
CID 64852165
N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 130532869
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
CID 103921147
N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852747
N-(2-cyclopentyloxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850404
2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851754
methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate
CID 64850189
N-(1,1-dioxothiolan-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103718870
N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 106008631
4-bromo-2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851756
[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol
CID 131041538
N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine
CID 64851352

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine (CID 64851363) is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine is CC(C)COC1CC(NC2CCS(=O)(=O)C2)C1(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine?
The InChIKey is CTQDLZJVTFTQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-10(2)8-18-13-7-12(14(13,3)4)15-11-5-6-19(16,17)9-11/h10-13,15H,5-9H2,1-4H3.
What are the key properties of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine?
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine has a molecular weight of 289.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 64851363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).