4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid

C9H19N3O4S — CID 91280191

IUPAC4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid
SMILESCN(C)CCS(=O)(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C9H19N3O4S/c1-10(2)7-8-17(15,16)12-5-3-11(4-6-12)9(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyHVRBXRJRLRDCNX-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.83
Rot. Bonds4

About 4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid

4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid (PubChem CID 91280191) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid
PubChem CID91280191
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Name4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid
SMILESCN(C)CCS(=O)(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C9H19N3O4S/c1-10(2)7-8-17(15,16)12-5-3-11(4-6-12)9(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyHVRBXRJRLRDCNX-UHFFFAOYSA-N
XLogP-0.83
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2,2-Trifluoroethylsulfonyl)piperazine-1-carboxylic acid
CID 140288863
Ethyl 4-(ethanesulfonyl)piperazine-1-carboxylate
CID 52448686
4-(2-Ethylsulfonylethyl)piperazine-1-carboxylic acid
CID 20207182
4-Methylsulfonylpiperazine-1-carboxylic acid
CID 21931327
Ethyl 4-(propylsulfonyl)piperazine-1-carboxylate
CID 52448879
4-Ethylsulfonylpiperazine-1-carboxylic acid
CID 59118041
4-Cyclopropanesulfonyl-piperazine-1-carboxylic acid
CID 67979494
4-[2-(1,1-Dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid
CID 69153447
4-Pentylsulfonylpiperazine-1-carboxylic acid
CID 69244865
4-[2-(Methanesulfonamido)ethyl]piperazine-1-carboxylic acid
CID 69263865
4-(2-Methylsulfonylethyl)piperazine-1-carboxylic acid
CID 89851636
3,5-Dimethyl-4-methylsulfonylpiperazine-1-carboxylic acid
CID 90344664

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid (CID 91280191) is 4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid is CN(C)CCS(=O)(=O)N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid?
The InChIKey is HVRBXRJRLRDCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-10(2)7-8-17(15,16)12-5-3-11(4-6-12)9(13)14/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid?
4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 91280191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).