5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine

C12H27N3O3S — CID 55010115

IUPAC5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine
SMILESCOCCS(=O)(=O)N1CCN(CCCCCN)CC1
InChIInChI=1S/C12H27N3O3S/c1-18-11-12-19(16,17)15-9-7-14(8-10-15)6-4-2-3-5-13/h2-13H2,1H3
InChIKeyZHLVMASUCQNFQF-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.29
Rot. Bonds9

About 5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine

5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine (PubChem CID 55010115) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine
PubChem CID55010115
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine
SMILESCOCCS(=O)(=O)N1CCN(CCCCCN)CC1
InChIInChI=1S/C12H27N3O3S/c1-18-11-12-19(16,17)15-9-7-14(8-10-15)6-4-2-3-5-13/h2-13H2,1H3
InChIKeyZHLVMASUCQNFQF-UHFFFAOYSA-N
XLogP-0.29
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine 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

4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 55010068
3-[4-(3-methoxypropylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63289792
5-[4-(2-ethoxyethylsulfonyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 63245672
5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 63832633
3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 79594001
2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol
CID 63310144
6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
CID 67176093
5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine
CID 63190695
1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356569
methyl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461191
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]acetic acid
CID 63290308

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine (CID 55010115) is 5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine is COCCS(=O)(=O)N1CCN(CCCCCN)CC1.
What is the InChIKey of 5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is ZHLVMASUCQNFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-18-11-12-19(16,17)15-9-7-14(8-10-15)6-4-2-3-5-13/h2-13H2,1H3.
What are the key properties of 5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine?
5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 293.43 g/mol, XLogP of -0.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 55010115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).