2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine

C10H20N2O2S2 — CID 66381738

IUPAC2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine
SMILES[H]/N=C(/N1CCSCC1S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H20N2O2S2/c1-10(2,3)9(11)12-5-6-15-7-8(12)16(4,13)14/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyQYPLSEQWADFKIW-PKNBQFBNSA-N
MW264.42 g/mol
LogP1.43
Rot. Bonds1

About 2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine

2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine (PubChem CID 66381738) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine
PubChem CID66381738
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine
SMILES[H]/N=C(/N1CCSCC1S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H20N2O2S2/c1-10(2,3)9(11)12-5-6-15-7-8(12)16(4,13)14/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyQYPLSEQWADFKIW-PKNBQFBNSA-N
XLogP1.43
TPSA61.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine (CID 66381738) is 2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine is [H]/N=C(/N1CCSCC1S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine?
The InChIKey is QYPLSEQWADFKIW-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-10(2,3)9(11)12-5-6-15-7-8(12)16(4,13)14/h8,11H,5-7H2,1-4H3/b11-9+.
What are the key properties of 2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine?
2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine has a molecular weight of 264.42 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-imine is sourced from PubChem (CID 66381738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).