3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine

C9H18F2N2S — CID 130600963

IUPAC3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine
SMILESCC1SCCN(CC(F)(F)CN)C1C
InChIInChI=1S/C9H18F2N2S/c1-7-8(2)14-4-3-13(7)6-9(10,11)5-12/h7-8H,3-6,12H2,1-2H3
InChIKeyNBVDBPRWUUMJOM-UHFFFAOYSA-N
MW224.32 g/mol
LogP1.41
Rot. Bonds3

About 3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine

3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine (PubChem CID 130600963) has the molecular formula C9H18F2N2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine
PubChem CID130600963
Molecular FormulaC9H18F2N2S
Molecular Weight224.32 g/mol
Exact Mass224.12
IUPAC Name3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine
SMILESCC1SCCN(CC(F)(F)CN)C1C
InChIInChI=1S/C9H18F2N2S/c1-7-8(2)14-4-3-13(7)6-9(10,11)5-12/h7-8H,3-6,12H2,1-2H3
InChIKeyNBVDBPRWUUMJOM-UHFFFAOYSA-N
XLogP1.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine (CID 130600963) is 3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine is CC1SCCN(CC(F)(F)CN)C1C.
What is the InChIKey of 3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine?
The InChIKey is NBVDBPRWUUMJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2S/c1-7-8(2)14-4-3-13(7)6-9(10,11)5-12/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine?
3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine has a molecular weight of 224.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylthiomorpholin-4-yl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 130600963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).