4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one

C15H30N4O4S — CID 120560564

IUPAC4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(S(=O)(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C15H30N4O4S/c1-12(16)4-5-15(20)17-6-8-18(9-7-17)24(21,22)19-10-13(2)23-14(3)11-19/h12-14H,4-11,16H2,1-3H3
InChIKeyYKUHZZWORWYCEA-UHFFFAOYSA-N
MW362.50 g/mol
LogP-0.39
Rot. Bonds5

About 4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one

4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one (PubChem CID 120560564) has the molecular formula C15H30N4O4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one
PubChem CID120560564
Molecular FormulaC15H30N4O4S
Molecular Weight362.50 g/mol
Exact Mass362.20
IUPAC Name4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(S(=O)(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C15H30N4O4S/c1-12(16)4-5-15(20)17-6-8-18(9-7-17)24(21,22)19-10-13(2)23-14(3)11-19/h12-14H,4-11,16H2,1-3H3
InChIKeyYKUHZZWORWYCEA-UHFFFAOYSA-N
XLogP-0.39
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560567
(2S)-2-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119730763
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
N-[3-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46412219
(2S)-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]propanoic acid
CID 125149387
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 51938857
2-butoxy-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 48675846
1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone
CID 51937065
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 55617869
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 120560520
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
CID 55939893

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one (CID 120560564) is 4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one is CC(N)CCC(=O)N1CCN(S(=O)(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of 4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one?
The InChIKey is YKUHZZWORWYCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O4S/c1-12(16)4-5-15(20)17-6-8-18(9-7-17)24(21,22)19-10-13(2)23-14(3)11-19/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one?
4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one has a molecular weight of 362.50 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one is sourced from PubChem (CID 120560564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).