(2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine

C16H19NO3S — CID 26333876

IUPAC(2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine
SMILESCS(=O)(=O)N1CCO[C@@H](Cc2cccc3ccccc23)C1
InChIInChI=1S/C16H19NO3S/c1-21(18,19)17-9-10-20-15(12-17)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-12H2,1H3/t15-/m0/s1
InChIKeyQJJYYEPYZAQUER-HNNXBMFYSA-N
MW305.40 g/mol
LogP2.04
Rot. Bonds3

About (2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine

(2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine (PubChem CID 26333876) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine
PubChem CID26333876
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine
SMILESCS(=O)(=O)N1CCO[C@@H](Cc2cccc3ccccc23)C1
InChIInChI=1S/C16H19NO3S/c1-21(18,19)17-9-10-20-15(12-17)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-12H2,1H3/t15-/m0/s1
InChIKeyQJJYYEPYZAQUER-HNNXBMFYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine (CID 26333876) is (2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine is CS(=O)(=O)N1CCO[C@@H](Cc2cccc3ccccc23)C1.
What is the InChIKey of (2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine?
The InChIKey is QJJYYEPYZAQUER-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-21(18,19)17-9-10-20-15(12-17)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine?
(2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine has a molecular weight of 305.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine is sourced from PubChem (CID 26333876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).