3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine

C10H20N2O2S — CID 63006347

IUPAC3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine
SMILESCC1(NCC2CCNC2)CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O2S/c1-10(3-5-15(13,14)8-10)12-7-9-2-4-11-6-9/h9,11-12H,2-8H2,1H3
InChIKeyLHIKOGGRASVMIX-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.24
Rot. Bonds3

About 3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine

3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine (PubChem CID 63006347) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine
PubChem CID63006347
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine
SMILESCC1(NCC2CCNC2)CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O2S/c1-10(3-5-15(13,14)8-10)12-7-9-2-4-11-6-9/h9,11-12H,2-8H2,1H3
InChIKeyLHIKOGGRASVMIX-UHFFFAOYSA-N
XLogP-0.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine?
The IUPAC name of 3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine (CID 63006347) is 3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine?
The canonical SMILES for 3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine is CC1(NCC2CCNC2)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine?
The InChIKey is LHIKOGGRASVMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-10(3-5-15(13,14)8-10)12-7-9-2-4-11-6-9/h9,11-12H,2-8H2,1H3.
What are the key properties of 3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine?
3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine has a molecular weight of 232.35 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 63006347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).