[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

C15H29ClN4O4S — CID 119730759

IUPAC[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)C3CCNC3)CC2)CC(C)O1.Cl
InChIInChI=1S/C15H28N4O4S.ClH/c1-12-10-19(11-13(2)23-12)24(21,22)18-7-5-17(6-8-18)15(20)14-3-4-16-9-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyMXXCDVVONPNDKC-UHFFFAOYSA-N
MW396.94 g/mol
LogP-0.48
Rot. Bonds3

About [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 119730759) has the molecular formula C15H29ClN4O4S and a molecular weight of 396.94 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID119730759
Molecular FormulaC15H29ClN4O4S
Molecular Weight396.94 g/mol
Exact Mass396.16
IUPAC Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)C3CCNC3)CC2)CC(C)O1.Cl
InChIInChI=1S/C15H28N4O4S.ClH/c1-12-10-19(11-13(2)23-12)24(21,22)18-7-5-17(6-8-18)15(20)14-3-4-16-9-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyMXXCDVVONPNDKC-UHFFFAOYSA-N
XLogP-0.48
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119669803
1-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 55601159
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119293377
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119730727
2,6-dimethyl-4-piperazin-1-ylsulfonylmorpholine;hydrochloride
CID 119961532
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-piperidin-3-ylmethanone
CID 103840886
(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone
CID 81123196
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 55685244
[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 120622918
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (CID 119730759) is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is CC1CN(S(=O)(=O)N2CCN(C(=O)C3CCNC3)CC2)CC(C)O1.Cl.
What is the InChIKey of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is MXXCDVVONPNDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4S.ClH/c1-12-10-19(11-13(2)23-12)24(21,22)18-7-5-17(6-8-18)15(20)14-3-4-16-9-14;/h12-14,16H,3-11H2,1-2H3;1H.
What are the key properties of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119730759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).