4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine

C17H21NO3S2 — CID 45177603

IUPAC4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine
SMILESCc1csc(S(=O)(=O)N2CCOC(CCc3ccccc3)C2)c1
InChIInChI=1S/C17H21NO3S2/c1-14-11-17(22-13-14)23(19,20)18-9-10-21-16(12-18)8-7-15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3
InChIKeyLBABMORLOWRCFM-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.08
Rot. Bonds5

About 4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine

4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine (PubChem CID 45177603) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine
PubChem CID45177603
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine
SMILESCc1csc(S(=O)(=O)N2CCOC(CCc3ccccc3)C2)c1
InChIInChI=1S/C17H21NO3S2/c1-14-11-17(22-13-14)23(19,20)18-9-10-21-16(12-18)8-7-15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3
InChIKeyLBABMORLOWRCFM-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine (CID 45177603) is 4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine is Cc1csc(S(=O)(=O)N2CCOC(CCc3ccccc3)C2)c1.
What is the InChIKey of 4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine?
The InChIKey is LBABMORLOWRCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-14-11-17(22-13-14)23(19,20)18-9-10-21-16(12-18)8-7-15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3.
What are the key properties of 4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine?
4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine has a molecular weight of 351.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylthiophen-2-yl)sulfonyl-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 45177603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).