4-butylsulfonyl-2-phenylthiomorpholine

C14H21NO2S2 — CID 110711376

IUPAC4-butylsulfonyl-2-phenylthiomorpholine
SMILESCCCCS(=O)(=O)N1CCSC(c2ccccc2)C1
InChIInChI=1S/C14H21NO2S2/c1-2-3-11-19(16,17)15-9-10-18-14(12-15)13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3
InChIKeyOKDIUSZOAQTHRT-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.91
Rot. Bonds5

About 4-butylsulfonyl-2-phenylthiomorpholine

4-butylsulfonyl-2-phenylthiomorpholine (PubChem CID 110711376) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-butylsulfonyl-2-phenylthiomorpholine.

Molecular Properties

Compound Name4-butylsulfonyl-2-phenylthiomorpholine
PubChem CID110711376
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC Name4-butylsulfonyl-2-phenylthiomorpholine
SMILESCCCCS(=O)(=O)N1CCSC(c2ccccc2)C1
InChIInChI=1S/C14H21NO2S2/c1-2-3-11-19(16,17)15-9-10-18-14(12-15)13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3
InChIKeyOKDIUSZOAQTHRT-UHFFFAOYSA-N
XLogP2.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90629593
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4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine
CID 110711379
4-(2-phenoxyethylsulfonyl)-7-phenyl-1,4-thiazepane
CID 90629665
1-methyl-2-phenyl-4-propylsulfonylpiperazine
CID 110418547
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
7-(furan-2-yl)-4-propylsulfonyl-1,4-thiazepane
CID 90632450
4-butylsulfonyl-2-(2-fluorophenyl)morpholine
CID 110326692
1-butylsulfonyl-2-methyl-5-phenylpiperazine
CID 82251741
1-(4-butylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 110364897
methyl 2-[(2S)-2-phenylthiomorpholin-4-yl]acetate
CID 95629932
(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 6472541

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfonyl-2-phenylthiomorpholine?
The IUPAC name of 4-butylsulfonyl-2-phenylthiomorpholine (CID 110711376) is 4-butylsulfonyl-2-phenylthiomorpholine.
What is the SMILES notation for 4-butylsulfonyl-2-phenylthiomorpholine?
The canonical SMILES for 4-butylsulfonyl-2-phenylthiomorpholine is CCCCS(=O)(=O)N1CCSC(c2ccccc2)C1.
What is the InChIKey of 4-butylsulfonyl-2-phenylthiomorpholine?
The InChIKey is OKDIUSZOAQTHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-2-3-11-19(16,17)15-9-10-18-14(12-15)13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3.
What are the key properties of 4-butylsulfonyl-2-phenylthiomorpholine?
4-butylsulfonyl-2-phenylthiomorpholine has a molecular weight of 299.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfonyl-2-phenylthiomorpholine is sourced from PubChem (CID 110711376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).