N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine

C8H19N3O2S — CID 66698107

IUPACN,N-dimethyl-2-piperazin-1-ylsulfonylethanamine
SMILESCN(C)CCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H19N3O2S/c1-10(2)7-8-14(12,13)11-5-3-9-4-6-11/h9H,3-8H2,1-2H3
InChIKeySLMMALYAWFCENM-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.22
Rot. Bonds4

About N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine

N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine (PubChem CID 66698107) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-piperazin-1-ylsulfonylethanamine
PubChem CID66698107
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN,N-dimethyl-2-piperazin-1-ylsulfonylethanamine
SMILESCN(C)CCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H19N3O2S/c1-10(2)7-8-14(12,13)11-5-3-9-4-6-11/h9H,3-8H2,1-2H3
InChIKeySLMMALYAWFCENM-UHFFFAOYSA-N
XLogP-1.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine?
The IUPAC name of N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine (CID 66698107) is N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine.
What is the SMILES notation for N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine?
The canonical SMILES for N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine is CN(C)CCS(=O)(=O)N1CCNCC1.
What is the InChIKey of N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine?
The InChIKey is SLMMALYAWFCENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-10(2)7-8-14(12,13)11-5-3-9-4-6-11/h9H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine?
N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine has a molecular weight of 221.33 g/mol, XLogP of -1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-piperazin-1-ylsulfonylethanamine is sourced from PubChem (CID 66698107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).