[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C21H31N3O4S — CID 55619980

IUPAC[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)C3CCCc4ccccc43)CC2)CC(C)O1
InChIInChI=1S/C21H31N3O4S/c1-16-14-24(15-17(2)28-16)29(26,27)23-12-10-22(11-13-23)21(25)20-9-5-7-18-6-3-4-8-19(18)20/h3-4,6,8,16-17,20H,5,7,9-15H2,1-2H3
InChIKeyUKWQJGPCCFVLAP-UHFFFAOYSA-N
MW421.56 g/mol
LogP1.60
Rot. Bonds3

About [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 55619980) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID55619980
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)C3CCCc4ccccc43)CC2)CC(C)O1
InChIInChI=1S/C21H31N3O4S/c1-16-14-24(15-17(2)28-16)29(26,27)23-12-10-22(11-13-23)21(25)20-9-5-7-18-6-3-4-8-19(18)20/h3-4,6,8,16-17,20H,5,7,9-15H2,1-2H3
InChIKeyUKWQJGPCCFVLAP-UHFFFAOYSA-N
XLogP1.60
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 55619980) is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is CC1CN(S(=O)(=O)N2CCN(C(=O)C3CCCc4ccccc43)CC2)CC(C)O1.
What is the InChIKey of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is UKWQJGPCCFVLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-16-14-24(15-17(2)28-16)29(26,27)23-12-10-22(11-13-23)21(25)20-9-5-7-18-6-3-4-8-19(18)20/h3-4,6,8,16-17,20H,5,7,9-15H2,1-2H3.
What are the key properties of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 421.56 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 55619980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).