1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine

C10H19ClN2O3S — CID 63666798

IUPAC1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine
SMILESO=S(=O)(CCl)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C10H19ClN2O3S/c11-9-17(14,15)13-5-3-12(4-6-13)8-10-2-1-7-16-10/h10H,1-9H2
InChIKeyHJZPUZRBHKXPJL-UHFFFAOYSA-N
MW282.79 g/mol
LogP0.31
Rot. Bonds4

About 1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine

1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine (PubChem CID 63666798) has the molecular formula C10H19ClN2O3S and a molecular weight of 282.79 g/mol. Its IUPAC name is 1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine
PubChem CID63666798
Molecular FormulaC10H19ClN2O3S
Molecular Weight282.79 g/mol
Exact Mass282.08
IUPAC Name1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine
SMILESO=S(=O)(CCl)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C10H19ClN2O3S/c11-9-17(14,15)13-5-3-12(4-6-13)8-10-2-1-7-16-10/h10H,1-9H2
InChIKeyHJZPUZRBHKXPJL-UHFFFAOYSA-N
XLogP0.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine 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

N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide
CID 51077626
1-(4-methylpiperidin-1-yl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane
CID 124789621
1-(2-chloroethyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 63387476
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
1-(3,5-difluorophenyl)sulfonyl-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 47034057
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 9264811
1-(5-bromothiophen-2-yl)sulfonyl-4-(oxolan-2-ylmethyl)piperazine
CID 60639718
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184
1-(2-chloroethyl)-4-(oxan-2-ylmethyl)-1,4-diazepane
CID 63387807
1-(2-chloro-4-methylphenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane
CID 124796196

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine?
The IUPAC name of 1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine (CID 63666798) is 1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine is O=S(=O)(CCl)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine?
The InChIKey is HJZPUZRBHKXPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O3S/c11-9-17(14,15)13-5-3-12(4-6-13)8-10-2-1-7-16-10/h10H,1-9H2.
What are the key properties of 1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine?
1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine has a molecular weight of 282.79 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine is sourced from PubChem (CID 63666798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).