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

C15H29NO3S — CID 64852345

IUPACN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC(C)COC1CC(NC2(C)CCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C15H29NO3S/c1-11(2)9-19-13-8-12(14(13,3)4)16-15(5)6-7-20(17,18)10-15/h11-13,16H,6-10H2,1-5H3
InChIKeyIZDQXPZMLXUCFI-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.99
Rot. Bonds5

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

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 64852345) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID64852345
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC(C)COC1CC(NC2(C)CCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C15H29NO3S/c1-11(2)9-19-13-8-12(14(13,3)4)16-15(5)6-7-20(17,18)10-15/h11-13,16H,6-10H2,1-5H3
InChIKeyIZDQXPZMLXUCFI-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine (CID 64852345) is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine is CC(C)COC1CC(NC2(C)CCS(=O)(=O)C2)C1(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is IZDQXPZMLXUCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-11(2)9-19-13-8-12(14(13,3)4)16-15(5)6-7-20(17,18)10-15/h11-13,16H,6-10H2,1-5H3.
What are the key properties of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine?
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 303.47 g/mol, XLogP of 1.99, 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]-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 64852345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).