4-[2-(benzenesulfonyl)ethyl]thiomorpholine

C12H17NO2S2 — CID 2818766

IUPAC4-[2-(benzenesulfonyl)ethyl]thiomorpholine
SMILESO=S(=O)(CCN1CCSCC1)c1ccccc1
InChIInChI=1S/C12H17NO2S2/c14-17(15,12-4-2-1-3-5-12)11-8-13-6-9-16-10-7-13/h1-5H,6-11H2
InChIKeyRVXRUGXJSNEJRC-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.51
Rot. Bonds4

About 4-[2-(benzenesulfonyl)ethyl]thiomorpholine

4-[2-(benzenesulfonyl)ethyl]thiomorpholine (PubChem CID 2818766) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-[2-(benzenesulfonyl)ethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(benzenesulfonyl)ethyl]thiomorpholine
PubChem CID2818766
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Name4-[2-(benzenesulfonyl)ethyl]thiomorpholine
SMILESO=S(=O)(CCN1CCSCC1)c1ccccc1
InChIInChI=1S/C12H17NO2S2/c14-17(15,12-4-2-1-3-5-12)11-8-13-6-9-16-10-7-13/h1-5H,6-11H2
InChIKeyRVXRUGXJSNEJRC-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
1-[2-(Benzenesulfonyl)ethyl]-3-methylpiperidine
CID 2818768
4-{2-[(4-Chlorophenyl)sulfonyl]ethyl}thiomorpholine
CID 2818795
1-(2-(Phenylsulfonyl)ethyl)pyrrolidine
CID 2778353
N-(2-phenylsulfonylethyl)-2-propanamine
CID 13655034
N-[2-(benzenesulfonyl)ethyl]propan-1-amine
CID 57300593
4-(benzenesulfonyl)-N,N-dimethylbutan-1-amine
CID 73351203
4-(2-((4-Fluorophenyl)sulfonyl)ethyl)morpholine
CID 214242
Sulfone, 4-fluorophenyl 2-piperidinoethyl, hydrochloride
CID 214239
1-[3-(Benzenesulfonyl)-2-(1-piperidinyl)propyl]piperidine
CID 3150672
4-(benzenesulfinyl)-N,N-dimethylbutan-1-amine
CID 73357242

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonyl)ethyl]thiomorpholine?
The IUPAC name of 4-[2-(benzenesulfonyl)ethyl]thiomorpholine (CID 2818766) is 4-[2-(benzenesulfonyl)ethyl]thiomorpholine.
What is the SMILES notation for 4-[2-(benzenesulfonyl)ethyl]thiomorpholine?
The canonical SMILES for 4-[2-(benzenesulfonyl)ethyl]thiomorpholine is O=S(=O)(CCN1CCSCC1)c1ccccc1.
What is the InChIKey of 4-[2-(benzenesulfonyl)ethyl]thiomorpholine?
The InChIKey is RVXRUGXJSNEJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c14-17(15,12-4-2-1-3-5-12)11-8-13-6-9-16-10-7-13/h1-5H,6-11H2.
What are the key properties of 4-[2-(benzenesulfonyl)ethyl]thiomorpholine?
4-[2-(benzenesulfonyl)ethyl]thiomorpholine has a molecular weight of 271.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonyl)ethyl]thiomorpholine is sourced from PubChem (CID 2818766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).