N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine

C10H20N2O2S — CID 81300872

IUPACN-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NC2CCS(=O)(=O)C2)CN1C
InChIInChI=1S/C10H20N2O2S/c1-8-5-10(6-12(8)2)11-9-3-4-15(13,14)7-9/h8-11H,3-7H2,1-2H3
InChIKeyVKCBSIHQWDQISX-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.14
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81300872) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81300872
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NC2CCS(=O)(=O)C2)CN1C
InChIInChI=1S/C10H20N2O2S/c1-8-5-10(6-12(8)2)11-9-3-4-15(13,14)7-9/h8-11H,3-7H2,1-2H3
InChIKeyVKCBSIHQWDQISX-UHFFFAOYSA-N
XLogP-0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine
CID 115707651
N-cyclopropyl-1,5-dimethylpyrrolidin-3-amine
CID 81302091
N-(4,4-dimethylcyclohexyl)-1,5-dimethylpyrrolidin-3-amine
CID 81335868
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-(1-cyclopropylpyrrolidin-3-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81344811
N-(4-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-amine
CID 81298687
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 63162610
N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 63993922
1,5-dimethyl-N-(4-propylcyclohexyl)pyrrolidin-3-amine
CID 81329081
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine
CID 115721214
N-(1,1-dioxothiolan-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103718870

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine (CID 81300872) is N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(NC2CCS(=O)(=O)C2)CN1C.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is VKCBSIHQWDQISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8-5-10(6-12(8)2)11-9-3-4-15(13,14)7-9/h8-11H,3-7H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine?
N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 232.35 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81300872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).