2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide

C9H22N4O2S — CID 114384829

IUPAC2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide
SMILESCN1CCN(CCNCCS(N)(=O)=O)CC1
InChIInChI=1S/C9H22N4O2S/c1-12-5-7-13(8-6-12)4-2-11-3-9-16(10,14)15/h11H,2-9H2,1H3,(H2,10,14,15)
InChIKeyPAOXTSUSBJKORJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP-1.89
Rot. Bonds6

About 2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide

2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide (PubChem CID 114384829) has the molecular formula C9H22N4O2S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide
PubChem CID114384829
Molecular FormulaC9H22N4O2S
Molecular Weight250.37 g/mol
Exact Mass250.15
IUPAC Name2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide
SMILESCN1CCN(CCNCCS(N)(=O)=O)CC1
InChIInChI=1S/C9H22N4O2S/c1-12-5-7-13(8-6-12)4-2-11-3-9-16(10,14)15/h11H,2-9H2,1H3,(H2,10,14,15)
InChIKeyPAOXTSUSBJKORJ-UHFFFAOYSA-N
XLogP-1.89
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]methanesulfonamide
CID 82888935
N-(2-bromoethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 46738419
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 171070522
2-(2-methylsulfinylethylamino)ethanesulfonamide
CID 114385199
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine
CID 61386658
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
CID 82944415
N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 62561653
2-(4-tert-butylpiperazin-1-yl)-N-[2-(3,3-dimethylbutylsulfonyl)ethyl]ethanamine
CID 143648176
N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
CID 20801424
2-(pentylamino)ethanesulfonamide
CID 43551719
2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine
CID 82888946
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide (CID 114384829) is 2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide is CN1CCN(CCNCCS(N)(=O)=O)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide?
The InChIKey is PAOXTSUSBJKORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2S/c1-12-5-7-13(8-6-12)4-2-11-3-9-16(10,14)15/h11H,2-9H2,1H3,(H2,10,14,15).
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide?
2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide has a molecular weight of 250.37 g/mol, XLogP of -1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 114384829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).