1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine

C12H24N2O2S — CID 61209294

IUPAC1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine
SMILESCC(C)N1CCC(CNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H24N2O2S/c1-10(2)14-5-3-11(8-14)7-13-12-4-6-17(15,16)9-12/h10-13H,3-9H2,1-2H3
InChIKeyNBQNSSPEFCGDSZ-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.49
Rot. Bonds4

About 1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine

1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine (PubChem CID 61209294) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine
PubChem CID61209294
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine
SMILESCC(C)N1CCC(CNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H24N2O2S/c1-10(2)14-5-3-11(8-14)7-13-12-4-6-17(15,16)9-12/h10-13H,3-9H2,1-2H3
InChIKeyNBQNSSPEFCGDSZ-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine (CID 61209294) is 1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine is CC(C)N1CCC(CNC2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine?
The InChIKey is NBQNSSPEFCGDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(2)14-5-3-11(8-14)7-13-12-4-6-17(15,16)9-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine?
1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 61209294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).