3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine

C10H19NO2S2 — CID 79941618

IUPAC3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine
SMILESCC1CC(NC2(C)CCS(=O)(=O)C2)CS1
InChIInChI=1S/C10H19NO2S2/c1-8-5-9(6-14-8)11-10(2)3-4-15(12,13)7-10/h8-9,11H,3-7H2,1-2H3
InChIKeyIXNWCZHJWOSTHW-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.05
Rot. Bonds2

About 3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine

3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine (PubChem CID 79941618) has the molecular formula C10H19NO2S2 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine
PubChem CID79941618
Molecular FormulaC10H19NO2S2
Molecular Weight249.40 g/mol
Exact Mass249.09
IUPAC Name3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine
SMILESCC1CC(NC2(C)CCS(=O)(=O)C2)CS1
InChIInChI=1S/C10H19NO2S2/c1-8-5-9(6-14-8)11-10(2)3-4-15(12,13)7-10/h8-9,11H,3-7H2,1-2H3
InChIKeyIXNWCZHJWOSTHW-UHFFFAOYSA-N
XLogP1.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 43679758
1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone
CID 43780093
N-(3-methyl-1,1-dioxothiolan-3-yl)oxepan-4-amine
CID 65081523
N-[3-(2-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679926
3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine
CID 107428106
N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 64762994
N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679928
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021
N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43679763

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine (CID 79941618) is 3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine is CC1CC(NC2(C)CCS(=O)(=O)C2)CS1.
What is the InChIKey of 3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is IXNWCZHJWOSTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S2/c1-8-5-9(6-14-8)11-10(2)3-4-15(12,13)7-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine?
3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 79941618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).