4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine

C15H22N2O5S2 — CID 1456422

IUPAC4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCC1
InChIInChI=1S/C15H22N2O5S2/c18-23(19,16-7-2-1-3-8-16)14-5-4-6-15(13-14)24(20,21)17-9-11-22-12-10-17/h4-6,13H,1-3,7-12H2
InChIKeyOCMPWSUZSMCVPD-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.88
Rot. Bonds4

About 4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine

4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine (PubChem CID 1456422) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine
PubChem CID1456422
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCC1
InChIInChI=1S/C15H22N2O5S2/c18-23(19,16-7-2-1-3-8-16)14-5-4-6-15(13-14)24(20,21)17-9-11-22-12-10-17/h4-6,13H,1-3,7-12H2
InChIKeyOCMPWSUZSMCVPD-UHFFFAOYSA-N
XLogP0.88
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(dipiperidin-1-yl-lambda~4~-sulfanylidene)benzenesulfonamide
CID 2830961
4-(Phenylsulfonyl)morpholine
CID 95050
N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I-2)
CID 25059530
2,6-Dimethyl-4-(phenylsulfonyl)morpholine
CID 2849564
4-[3-(4-Benzyl-piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 651778
4-[1-(Benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 660754
N,N-Diethyl-3-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 3214671
4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
4-[3-(2-Methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3214675
4-[4-(2,6-Dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3226866
N,N-bis(but-2-ynyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 646302
N-(2-Cyclohex-1-enyl-ethyl)-3-(morpholine-4-sulfonyl)-benzenesulfonamide
CID 651061

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine (CID 1456422) is 4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine is O=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCC1.
What is the InChIKey of 4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine?
The InChIKey is OCMPWSUZSMCVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c18-23(19,16-7-2-1-3-8-16)14-5-4-6-15(13-14)24(20,21)17-9-11-22-12-10-17/h4-6,13H,1-3,7-12H2.
What are the key properties of 4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine?
4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine has a molecular weight of 374.48 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylsulfonylphenyl)sulfonylmorpholine is sourced from PubChem (CID 1456422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).