(2S)-4-cyclobutylsulfonyl-2-methylmorpholine

C9H17NO3S — CID 155354330

IUPAC(2S)-4-cyclobutylsulfonyl-2-methylmorpholine
SMILESC[C@H]1CN(S(=O)(=O)C2CCC2)CCO1
InChIInChI=1S/C9H17NO3S/c1-8-7-10(5-6-13-8)14(11,12)9-3-2-4-9/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyDLHQXFYIJGKLTR-QMMMGPOBSA-N
MW219.31 g/mol
LogP0.59
Rot. Bonds2

About (2S)-4-cyclobutylsulfonyl-2-methylmorpholine

(2S)-4-cyclobutylsulfonyl-2-methylmorpholine (PubChem CID 155354330) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (2S)-4-cyclobutylsulfonyl-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-cyclobutylsulfonyl-2-methylmorpholine
PubChem CID155354330
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name(2S)-4-cyclobutylsulfonyl-2-methylmorpholine
SMILESC[C@H]1CN(S(=O)(=O)C2CCC2)CCO1
InChIInChI=1S/C9H17NO3S/c1-8-7-10(5-6-13-8)14(11,12)9-3-2-4-9/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyDLHQXFYIJGKLTR-QMMMGPOBSA-N
XLogP0.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-cyclobutylsulfonyl-2-methylmorpholine?
The IUPAC name of (2S)-4-cyclobutylsulfonyl-2-methylmorpholine (CID 155354330) is (2S)-4-cyclobutylsulfonyl-2-methylmorpholine.
What is the SMILES notation for (2S)-4-cyclobutylsulfonyl-2-methylmorpholine?
The canonical SMILES for (2S)-4-cyclobutylsulfonyl-2-methylmorpholine is C[C@H]1CN(S(=O)(=O)C2CCC2)CCO1.
What is the InChIKey of (2S)-4-cyclobutylsulfonyl-2-methylmorpholine?
The InChIKey is DLHQXFYIJGKLTR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-8-7-10(5-6-13-8)14(11,12)9-3-2-4-9/h8-9H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-4-cyclobutylsulfonyl-2-methylmorpholine?
(2S)-4-cyclobutylsulfonyl-2-methylmorpholine has a molecular weight of 219.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-cyclobutylsulfonyl-2-methylmorpholine is sourced from PubChem (CID 155354330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).