N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine

C13H25NO3S — CID 64850338

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCCOC1CC(NC2(C)CCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C13H25NO3S/c1-5-17-11-8-10(12(11,2)3)14-13(4)6-7-18(15,16)9-13/h10-11,14H,5-9H2,1-4H3
InChIKeyVDQIZFHUKGJODH-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.36
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 64850338) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID64850338
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCCOC1CC(NC2(C)CCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C13H25NO3S/c1-5-17-11-8-10(12(11,2)3)14-13(4)6-7-18(15,16)9-13/h10-11,14H,5-9H2,1-4H3
InChIKeyVDQIZFHUKGJODH-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine (CID 64850338) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine is CCOC1CC(NC2(C)CCS(=O)(=O)C2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is VDQIZFHUKGJODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-5-17-11-8-10(12(11,2)3)14-13(4)6-7-18(15,16)9-13/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 275.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 64850338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).