2-(benzenesulfinyl)morpholine

C10H13NO2S — CID 174861338

IUPAC2-(benzenesulfinyl)morpholine
SMILESO=S(c1ccccc1)C1CNCCO1
InChIInChI=1S/C10H13NO2S/c12-14(9-4-2-1-3-5-9)10-8-11-6-7-13-10/h1-5,10-11H,6-8H2
InChIKeyHNMYZUYVADVHHA-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.74
Rot. Bonds2

About 2-(benzenesulfinyl)morpholine

2-(benzenesulfinyl)morpholine (PubChem CID 174861338) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(benzenesulfinyl)morpholine.

Molecular Properties

Compound Name2-(benzenesulfinyl)morpholine
PubChem CID174861338
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(benzenesulfinyl)morpholine
SMILESO=S(c1ccccc1)C1CNCCO1
InChIInChI=1S/C10H13NO2S/c12-14(9-4-2-1-3-5-9)10-8-11-6-7-13-10/h1-5,10-11H,6-8H2
InChIKeyHNMYZUYVADVHHA-UHFFFAOYSA-N
XLogP0.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-2-ylsulfinylmorpholine
CID 90151752
3-(benzenesulfinyl)azetidine
CID 126978660
azane;2-phenylmorpholine
CID 174664757
benzenesulfinic acid;morpholine
CID 131853845
2-(benzenesulfonyl)morpholine
CID 19848023
(2R)-2-(2-phenylethenyl)morpholine
CID 54208083
2-(benzenesulfinyl)-3,4-dihydro-2H-chromene
CID 100929300
(R)-morpholin-2-yl(phenyl)methanol
CID 69108289
(2R)-2-[(2-ethylphenyl)sulfanyl-phenylmethyl]morpholine
CID 69432021
phenyl N-(morpholin-2-ylmethyl)-N-phenylcarbamate
CID 21430406
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
(2S)-2-(benzenesulfinylmethyl)oxirane
CID 130493494

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)morpholine?
The IUPAC name of 2-(benzenesulfinyl)morpholine (CID 174861338) is 2-(benzenesulfinyl)morpholine.
What is the SMILES notation for 2-(benzenesulfinyl)morpholine?
The canonical SMILES for 2-(benzenesulfinyl)morpholine is O=S(c1ccccc1)C1CNCCO1.
What is the InChIKey of 2-(benzenesulfinyl)morpholine?
The InChIKey is HNMYZUYVADVHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-14(9-4-2-1-3-5-9)10-8-11-6-7-13-10/h1-5,10-11H,6-8H2.
What are the key properties of 2-(benzenesulfinyl)morpholine?
2-(benzenesulfinyl)morpholine has a molecular weight of 211.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)morpholine is sourced from PubChem (CID 174861338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).