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

C19H36N4O6S2 — CID 55685244

IUPAC[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)C1
InChIInChI=1S/C19H36N4O6S2/c1-4-12-30(25,26)22-7-5-6-18(15-22)19(24)20-8-10-21(11-9-20)31(27,28)23-13-16(2)29-17(3)14-23/h16-18H,4-15H2,1-3H3
InChIKeyCLQKXMVNGWKVNS-UHFFFAOYSA-N
MW480.65 g/mol
LogP-0.06
Rot. Bonds6

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

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone (PubChem CID 55685244) has the molecular formula C19H36N4O6S2 and a molecular weight of 480.65 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
PubChem CID55685244
Molecular FormulaC19H36N4O6S2
Molecular Weight480.65 g/mol
Exact Mass480.21
IUPAC Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)C1
InChIInChI=1S/C19H36N4O6S2/c1-4-12-30(25,26)22-7-5-6-18(15-22)19(24)20-8-10-21(11-9-20)31(27,28)23-13-16(2)29-17(3)14-23/h16-18H,4-15H2,1-3H3
InChIKeyCLQKXMVNGWKVNS-UHFFFAOYSA-N
XLogP-0.06
TPSA107.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 55511986
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 46489746
1-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 55601159
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119730759
N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
CID 42959145
N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide
CID 136578480
morpholin-4-yl-[(3R)-1-(1-propylsulfonylpiperidin-4-yl)piperidin-3-yl]methanone
CID 96573725
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 55563956
N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55682910
[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 86905561

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone (CID 55685244) is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone is CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)C1.
What is the InChIKey of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone?
The InChIKey is CLQKXMVNGWKVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O6S2/c1-4-12-30(25,26)22-7-5-6-18(15-22)19(24)20-8-10-21(11-9-20)31(27,28)23-13-16(2)29-17(3)14-23/h16-18H,4-15H2,1-3H3.
What are the key properties of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone?
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone has a molecular weight of 480.65 g/mol, XLogP of -0.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 55685244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).