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

C11H25N3O3S — CID 55010068

IUPAC4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
SMILESCOCCS(=O)(=O)N1CCN(CCCCN)CC1
InChIInChI=1S/C11H25N3O3S/c1-17-10-11-18(15,16)14-8-6-13(7-9-14)5-3-2-4-12/h2-12H2,1H3
InChIKeyRFGMAGNWNRCIKD-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.68
Rot. Bonds8

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

4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine (PubChem CID 55010068) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
PubChem CID55010068
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
SMILESCOCCS(=O)(=O)N1CCN(CCCCN)CC1
InChIInChI=1S/C11H25N3O3S/c1-17-10-11-18(15,16)14-8-6-13(7-9-14)5-3-2-4-12/h2-12H2,1H3
InChIKeyRFGMAGNWNRCIKD-UHFFFAOYSA-N
XLogP-0.68
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 55010115
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
3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 79594001
5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 63832633
2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol
CID 63310144
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
6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
CID 67176093
5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine
CID 63190695
2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]acetic acid
CID 63290308

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine (CID 55010068) is 4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine is COCCS(=O)(=O)N1CCN(CCCCN)CC1.
What is the InChIKey of 4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine?
The InChIKey is RFGMAGNWNRCIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-17-10-11-18(15,16)14-8-6-13(7-9-14)5-3-2-4-12/h2-12H2,1H3.
What are the key properties of 4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine?
4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine has a molecular weight of 279.41 g/mol, XLogP of -0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 55010068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).