3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine

C11H23NO2S — CID 43679867

IUPAC3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine
SMILESCC(C)CC(C)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO2S/c1-9(2)7-10(3)12-11(4)5-6-15(13,14)8-11/h9-10,12H,5-8H2,1-4H3
InChIKeyXUYOOGHHDFOCKM-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds4

About 3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine

3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine (PubChem CID 43679867) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine
PubChem CID43679867
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine
SMILESCC(C)CC(C)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO2S/c1-9(2)7-10(3)12-11(4)5-6-15(13,14)8-11/h9-10,12H,5-8H2,1-4H3
InChIKeyXUYOOGHHDFOCKM-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 16187048
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide
CID 3113026
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
(3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 164634032
N-[(1,1-dioxothiolan-3-yl)methyl]-3-fluoropropan-1-amine
CID 81105893
N-(3-fluoropropyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 81106940
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine
CID 102869249
3-methyl-1,1-dioxo-N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine
CID 113533768
1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 115336788
1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 115336935

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine (CID 43679867) is 3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine is CC(C)CC(C)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is XUYOOGHHDFOCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)7-10(3)12-11(4)5-6-15(13,14)8-11/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine?
3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43679867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).