N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide

C10H23N3O3S — CID 54972131

IUPACN-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide
SMILESCCOCCNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C10H23N3O3S/c1-2-16-9-5-12-17(14,15)10-8-13-6-3-11-4-7-13/h11-12H,2-10H2,1H3
InChIKeyKSZODWMIPJEFGW-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.15
Rot. Bonds8

About N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide

N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 54972131) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide
PubChem CID54972131
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide
SMILESCCOCCNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C10H23N3O3S/c1-2-16-9-5-12-17(14,15)10-8-13-6-3-11-4-7-13/h11-12H,2-10H2,1H3
InChIKeyKSZODWMIPJEFGW-UHFFFAOYSA-N
XLogP-1.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-1.15
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

CID 71792743
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CID 20656529
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CID 71756651
CID 71756651
CID 71933162
CID 71933162
CID 75414492
CID 75414492
CID 86817595
CID 86817595
CID 63827271
CID 63827271
CID 105917744
CID 105917744
CID 1237764
CID 1237764
CID 18357023
CID 18357023
CID 18386523
CID 18386523
CID 18401418
CID 18401418

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide (CID 54972131) is N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide is CCOCCNS(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is KSZODWMIPJEFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-2-16-9-5-12-17(14,15)10-8-13-6-3-11-4-7-13/h11-12H,2-10H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide?
N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide has a molecular weight of 265.38 g/mol, XLogP of -1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 54972131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).