N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine

C11H22N2O2S — CID 60856202

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCCN1CCC(CNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H22N2O2S/c1-2-13-5-3-10(8-13)7-12-11-4-6-16(14,15)9-11/h10-12H,2-9H2,1H3
InChIKeyVUEKGBDSBJSMOX-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.10
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 60856202) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID60856202
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCCN1CCC(CNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H22N2O2S/c1-2-13-5-3-10(8-13)7-12-11-4-6-16(14,15)9-11/h10-12H,2-9H2,1H3
InChIKeyVUEKGBDSBJSMOX-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine (CID 60856202) is N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine is CCN1CCC(CNC2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is VUEKGBDSBJSMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-13-5-3-10(8-13)7-12-11-4-6-16(14,15)9-11/h10-12H,2-9H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 246.38 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 60856202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).