4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine

C11H23ClN2O2S — CID 114539403

IUPAC4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine
SMILESCC1CN(S(=O)(=O)CCCCCl)CC(C)N1C
InChIInChI=1S/C11H23ClN2O2S/c1-10-8-14(9-11(2)13(10)3)17(15,16)7-5-4-6-12/h10-11H,4-9H2,1-3H3
InChIKeyGBNHPDNUJYOCHI-UHFFFAOYSA-N
MW282.84 g/mol
LogP1.36
Rot. Bonds5

About 4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine

4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine (PubChem CID 114539403) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine
PubChem CID114539403
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC Name4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine
SMILESCC1CN(S(=O)(=O)CCCCCl)CC(C)N1C
InChIInChI=1S/C11H23ClN2O2S/c1-10-8-14(9-11(2)13(10)3)17(15,16)7-5-4-6-12/h10-11H,4-9H2,1-3H3
InChIKeyGBNHPDNUJYOCHI-UHFFFAOYSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine 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

3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol
CID 114551588
4-ethylsulfonyl-1,2,6-trimethylpiperazine
CID 110662378
1-(4-chlorobutylsulfonyl)-4-methylpiperidine
CID 28704646
[1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol
CID 107858946
1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine
CID 114537116
1-(4-chlorobutylsulfonyl)-3-pyrrolidin-1-ylpiperidine
CID 116815438
4-benzylsulfonyl-1,2,6-trimethylpiperazine
CID 110662416
1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884
1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide
CID 116814717
1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol
CID 107858937
N-(3-aminopropyl)-N,3,4,5-tetramethylpiperazine-1-sulfonamide
CID 114545497
4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide
CID 61248403

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine?
The IUPAC name of 4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine (CID 114539403) is 4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine is CC1CN(S(=O)(=O)CCCCCl)CC(C)N1C.
What is the InChIKey of 4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine?
The InChIKey is GBNHPDNUJYOCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O2S/c1-10-8-14(9-11(2)13(10)3)17(15,16)7-5-4-6-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine?
4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine has a molecular weight of 282.84 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine is sourced from PubChem (CID 114539403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).