N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine

C16H23NO3S — CID 43679928

IUPACN-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCOc1ccc(C2CC(NC3(C)CCS(=O)(=O)C3)C2)cc1
InChIInChI=1S/C16H23NO3S/c1-16(7-8-21(18,19)11-16)17-14-9-13(10-14)12-3-5-15(20-2)6-4-12/h3-6,13-14,17H,7-11H2,1-2H3
InChIKeyVSWOOEOWQJPUBS-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.11
Rot. Bonds4

About N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine

N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43679928) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID43679928
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCOc1ccc(C2CC(NC3(C)CCS(=O)(=O)C3)C2)cc1
InChIInChI=1S/C16H23NO3S/c1-16(7-8-21(18,19)11-16)17-14-9-13(10-14)12-3-5-15(20-2)6-4-12/h3-6,13-14,17H,7-11H2,1-2H3
InChIKeyVSWOOEOWQJPUBS-UHFFFAOYSA-N
XLogP2.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679926
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methyl-1,1-dioxothiolan-3-amine
CID 115510364
N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine
CID 43632787
N-cyclohexyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679840
N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679751
4-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1,4-diamine
CID 79724714
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679852
3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine
CID 79941618
N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine
CID 83007160
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011225
N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine (CID 43679928) is N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine is COc1ccc(C2CC(NC3(C)CCS(=O)(=O)C3)C2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is VSWOOEOWQJPUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-16(7-8-21(18,19)11-16)17-14-9-13(10-14)12-3-5-15(20-2)6-4-12/h3-6,13-14,17H,7-11H2,1-2H3.
What are the key properties of N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine?
N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 309.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43679928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).