3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one

C12H25N3O3S — CID 110422275

IUPAC3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-11-19(17,18)15-9-7-14(8-10-15)12(16)5-6-13(2)3/h4-11H2,1-3H3
InChIKeyCNMQMNFBNULTAN-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.18
Rot. Bonds6

About 3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one

3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 110422275) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID110422275
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-11-19(17,18)15-9-7-14(8-10-15)12(16)5-6-13(2)3/h4-11H2,1-3H3
InChIKeyCNMQMNFBNULTAN-UHFFFAOYSA-N
XLogP-0.18
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110617908
4-[3-(dimethylamino)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110666207
4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide
CID 110611593
3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
CID 55121142
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
CID 110817146
3-phenoxy-1-(4-propylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 110798776
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110603336
3-(aminomethyl)-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 81086907
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110804913

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one (CID 110422275) is 3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one is CCCS(=O)(=O)N1CCN(C(=O)CCN(C)C)CC1.
What is the InChIKey of 3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is CNMQMNFBNULTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-4-11-19(17,18)15-9-7-14(8-10-15)12(16)5-6-13(2)3/h4-11H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 291.42 g/mol, XLogP of -0.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110422275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).