N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine

C12H24N2O2S — CID 55139770

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine
SMILESCC(CNC1CCS(=O)(=O)C1)CN1CCCC1
InChIInChI=1S/C12H24N2O2S/c1-11(9-14-5-2-3-6-14)8-13-12-4-7-17(15,16)10-12/h11-13H,2-10H2,1H3
InChIKeyVLQYBJCLQDJWJM-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.50
Rot. Bonds5

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine (PubChem CID 55139770) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine
PubChem CID55139770
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine
SMILESCC(CNC1CCS(=O)(=O)C1)CN1CCCC1
InChIInChI=1S/C12H24N2O2S/c1-11(9-14-5-2-3-6-14)8-13-12-4-7-17(15,16)10-12/h11-13H,2-10H2,1H3
InChIKeyVLQYBJCLQDJWJM-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine (CID 55139770) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine is CC(CNC1CCS(=O)(=O)C1)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine?
The InChIKey is VLQYBJCLQDJWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11(9-14-5-2-3-6-14)8-13-12-4-7-17(15,16)10-12/h11-13H,2-10H2,1H3.
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 55139770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).