3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one

C16H30N4O5S — CID 110617908

IUPAC3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
SMILESCN(C)CCC(=O)N1CCN(C(=O)CCS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H30N4O5S/c1-17(2)5-3-15(21)18-6-8-19(9-7-18)16(22)4-14-26(23,24)20-10-12-25-13-11-20/h3-14H2,1-2H3
InChIKeyWGHCMPGUHPEOSQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP-1.34
Rot. Bonds7

About 3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one

3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one (PubChem CID 110617908) has the molecular formula C16H30N4O5S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
PubChem CID110617908
Molecular FormulaC16H30N4O5S
Molecular Weight390.51 g/mol
Exact Mass390.19
IUPAC Name3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
SMILESCN(C)CCC(=O)N1CCN(C(=O)CCS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H30N4O5S/c1-17(2)5-3-15(21)18-6-8-19(9-7-18)16(22)4-14-26(23,24)20-10-12-25-13-11-20/h3-14H2,1-2H3
InChIKeyWGHCMPGUHPEOSQ-UHFFFAOYSA-N
XLogP-1.34
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
CID 110422275
1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one
CID 62918616
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
4-[3-(dimethylamino)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110666207
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
N,N-bis(2-hydroxyethyl)-3-morpholin-4-ylsulfonylpropanamide
CID 61235459
N-[2-(dimethylamino)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113117459
propan-2-yl 3-morpholin-4-ylsulfonylpropanoate
CID 112724899
4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide
CID 110611593
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one
CID 46979836
N-(2,3-dihydroxy-2-methylpropyl)-3-morpholin-4-ylsulfonylpropanamide
CID 66169421
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one
CID 110310475

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one (CID 110617908) is 3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one is CN(C)CCC(=O)N1CCN(C(=O)CCS(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one?
The InChIKey is WGHCMPGUHPEOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O5S/c1-17(2)5-3-15(21)18-6-8-19(9-7-18)16(22)4-14-26(23,24)20-10-12-25-13-11-20/h3-14H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one?
3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one has a molecular weight of 390.51 g/mol, XLogP of -1.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110617908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).