1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine

C9H19FN2O2S — CID 120725565

IUPAC1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine
SMILESCC1NCCN(S(=O)(=O)CCCF)C1C
InChIInChI=1S/C9H19FN2O2S/c1-8-9(2)12(6-5-11-8)15(13,14)7-3-4-10/h8-9,11H,3-7H2,1-2H3
InChIKeyYUPOKGMKBXYBCD-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.36
Rot. Bonds4

About 1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine

1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine (PubChem CID 120725565) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine
PubChem CID120725565
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC Name1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine
SMILESCC1NCCN(S(=O)(=O)CCCF)C1C
InChIInChI=1S/C9H19FN2O2S/c1-8-9(2)12(6-5-11-8)15(13,14)7-3-4-10/h8-9,11H,3-7H2,1-2H3
InChIKeyYUPOKGMKBXYBCD-UHFFFAOYSA-N
XLogP0.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Propanesulfonyl)piperazine
CID 832241
1-(Propane-2-sulfonyl)piperazine hydrochloride
CID 46743460
1-(Propane-1-sulfonyl)piperazine hydrochloride
CID 46743466
N-(piperidin-3-yl)ethane-1-sulfonamide
CID 18069591
N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
CID 56700520
N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide
CID 60703057
2-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 97570293
N,N-dimethyl-3-(3-methylpiperazin-1-yl)sulfonylpropane-1-sulfonamide
CID 121555234
1-(Isopropylsulfonyl)piperazine
CID 22562851
1-(3-Fluoropropylsulfonyl)piperazine
CID 53637782
1-(2-Fluoroethylsulfonyl)piperazine
CID 54461174
1-(4,4,4-Trifluorobutylsulfonyl)piperazine
CID 54512311

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine?
The IUPAC name of 1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine (CID 120725565) is 1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine.
What is the SMILES notation for 1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine?
The canonical SMILES for 1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine is CC1NCCN(S(=O)(=O)CCCF)C1C.
What is the InChIKey of 1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine?
The InChIKey is YUPOKGMKBXYBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c1-8-9(2)12(6-5-11-8)15(13,14)7-3-4-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine?
1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine has a molecular weight of 238.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylsulfonyl)-2,3-dimethylpiperazine is sourced from PubChem (CID 120725565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).