N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide

C18H28N4O6S2 — CID 55636448

IUPACN-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3NS(C)(=O)=O)CC2)CC(C)O1
InChIInChI=1S/C18H28N4O6S2/c1-14-12-22(13-15(2)28-14)30(26,27)21-10-8-20(9-11-21)18(23)16-6-4-5-7-17(16)19-29(3,24)25/h4-7,14-15,19H,8-13H2,1-3H3
InChIKeyKZCUJOLTIWMHJM-UHFFFAOYSA-N
MW460.58 g/mol
LogP0.17
Rot. Bonds5

About N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide

N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 55636448) has the molecular formula C18H28N4O6S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID55636448
Molecular FormulaC18H28N4O6S2
Molecular Weight460.58 g/mol
Exact Mass460.15
IUPAC NameN-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3NS(C)(=O)=O)CC2)CC(C)O1
InChIInChI=1S/C18H28N4O6S2/c1-14-12-22(13-15(2)28-14)30(26,27)21-10-8-20(9-11-21)18(23)16-6-4-5-7-17(16)19-29(3,24)25/h4-7,14-15,19H,8-13H2,1-3H3
InChIKeyKZCUJOLTIWMHJM-UHFFFAOYSA-N
XLogP0.17
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 51164916
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 46452768
N-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]methanesulfonamide;hydrochloride
CID 120659023
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2983757
1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone
CID 51937065
N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55350252
(2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 42947009
N-[3-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46412219
[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 51937047
(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482
N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 112843501

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide (CID 55636448) is N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide is CC1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3NS(C)(=O)=O)CC2)CC(C)O1.
What is the InChIKey of N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is KZCUJOLTIWMHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O6S2/c1-14-12-22(13-15(2)28-14)30(26,27)21-10-8-20(9-11-21)18(23)16-6-4-5-7-17(16)19-29(3,24)25/h4-7,14-15,19H,8-13H2,1-3H3.
What are the key properties of N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 460.58 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 55636448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).