2-(2-methylpropyl)-4-methylsulfonylmorpholine

C9H19NO3S — CID 71221078

IUPAC2-(2-methylpropyl)-4-methylsulfonylmorpholine
SMILESCC(C)CC1CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C9H19NO3S/c1-8(2)6-9-7-10(4-5-13-9)14(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyWWDMBHKMEJQKLL-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.69
Rot. Bonds3

About 2-(2-methylpropyl)-4-methylsulfonylmorpholine

2-(2-methylpropyl)-4-methylsulfonylmorpholine (PubChem CID 71221078) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-methylsulfonylmorpholine
PubChem CID71221078
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-(2-methylpropyl)-4-methylsulfonylmorpholine
SMILESCC(C)CC1CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C9H19NO3S/c1-8(2)6-9-7-10(4-5-13-9)14(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyWWDMBHKMEJQKLL-UHFFFAOYSA-N
XLogP0.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-methylsulfonylmorpholine?
The IUPAC name of 2-(2-methylpropyl)-4-methylsulfonylmorpholine (CID 71221078) is 2-(2-methylpropyl)-4-methylsulfonylmorpholine.
What is the SMILES notation for 2-(2-methylpropyl)-4-methylsulfonylmorpholine?
The canonical SMILES for 2-(2-methylpropyl)-4-methylsulfonylmorpholine is CC(C)CC1CN(S(C)(=O)=O)CCO1.
What is the InChIKey of 2-(2-methylpropyl)-4-methylsulfonylmorpholine?
The InChIKey is WWDMBHKMEJQKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2)6-9-7-10(4-5-13-9)14(3,11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-4-methylsulfonylmorpholine?
2-(2-methylpropyl)-4-methylsulfonylmorpholine has a molecular weight of 221.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-methylsulfonylmorpholine is sourced from PubChem (CID 71221078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).