N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide

C8H19N3O4S — CID 61252740

IUPACN-(2,2-dimethoxyethyl)piperazine-1-sulfonamide
SMILESCOC(CNS(=O)(=O)N1CCNCC1)OC
InChIInChI=1S/C8H19N3O4S/c1-14-8(15-2)7-10-16(12,13)11-5-3-9-4-6-11/h8-10H,3-7H2,1-2H3
InChIKeyXEFGXUVJHIDNRR-UHFFFAOYSA-N
MW253.32 g/mol
LogP-1.66
Rot. Bonds6

About N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide

N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide (PubChem CID 61252740) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)piperazine-1-sulfonamide
PubChem CID61252740
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC NameN-(2,2-dimethoxyethyl)piperazine-1-sulfonamide
SMILESCOC(CNS(=O)(=O)N1CCNCC1)OC
InChIInChI=1S/C8H19N3O4S/c1-14-8(15-2)7-10-16(12,13)11-5-3-9-4-6-11/h8-10H,3-7H2,1-2H3
InChIKeyXEFGXUVJHIDNRR-UHFFFAOYSA-N
XLogP-1.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide (CID 61252740) is N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide is COC(CNS(=O)(=O)N1CCNCC1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide?
The InChIKey is XEFGXUVJHIDNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-14-8(15-2)7-10-16(12,13)11-5-3-9-4-6-11/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide?
N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide has a molecular weight of 253.32 g/mol, XLogP of -1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61252740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).