1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine

C10H20N2O2S — CID 43315216

IUPAC1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H20N2O2S/c1-2-11-9-3-5-12(7-9)10-4-6-15(13,14)8-10/h9-11H,2-8H2,1H3
InChIKeyVHCXAKSWBOJEKA-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.14
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine

1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine (PubChem CID 43315216) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine
PubChem CID43315216
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H20N2O2S/c1-2-11-9-3-5-12(7-9)10-4-6-15(13,14)8-10/h9-11H,2-8H2,1H3
InChIKeyVHCXAKSWBOJEKA-UHFFFAOYSA-N
XLogP-0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine
CID 43315218
N-ethyl-1-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43315476
N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine
CID 65472979
1-cyclopentyl-N-ethylpiperidin-4-amine
CID 43315368
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 63162610
N-ethyl-1-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 61223610
1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 117008143
1-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552789
N-[[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]methyl]propan-2-amine
CID 63848761
9-(1,1-dioxothian-4-yl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712030
N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine
CID 62835220

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine (CID 43315216) is 1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine is CCNC1CCN(C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine?
The InChIKey is VHCXAKSWBOJEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-2-11-9-3-5-12(7-9)10-4-6-15(13,14)8-10/h9-11H,2-8H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine?
1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine has a molecular weight of 232.35 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 43315216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).