1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine

C12H28N4O4S — CID 119966689

IUPAC1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine
SMILESCOCCN(CCOC)S(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C12H28N4O4S/c1-19-11-9-16(10-12-20-2)21(17,18)14-5-8-15-6-3-13-4-7-15/h13-14H,3-12H2,1-2H3
InChIKeyOARQRNMPZOEGMR-UHFFFAOYSA-N
MW324.45 g/mol
LogP-1.68
Rot. Bonds11

About 1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine

1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine (PubChem CID 119966689) has the molecular formula C12H28N4O4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine
PubChem CID119966689
Molecular FormulaC12H28N4O4S
Molecular Weight324.45 g/mol
Exact Mass324.18
IUPAC Name1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine
SMILESCOCCN(CCOC)S(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C12H28N4O4S/c1-19-11-9-16(10-12-20-2)21(17,18)14-5-8-15-6-3-13-4-7-15/h13-14H,3-12H2,1-2H3
InChIKeyOARQRNMPZOEGMR-UHFFFAOYSA-N
XLogP-1.68
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 54972243
1-[3-[bis(3-methylbutyl)sulfamoylamino]propyl]piperazine;dihydrochloride
CID 119994783
1-[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethyl]piperazine
CID 119966185
4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride
CID 120719916
methyl 3-[methyl(3-piperazin-1-ylpropylsulfamoyl)amino]propanoate;dihydrochloride
CID 119994388
4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966559
4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride
CID 120896370
N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
CID 61252200
3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide
CID 63287773
N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 63009964
N-[2-[2-methoxyethyl(methyl)amino]ethyl]piperazine-1-sulfonamide
CID 55126821
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine
CID 62832411

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine?
The IUPAC name of 1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine (CID 119966689) is 1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine.
What is the SMILES notation for 1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine?
The canonical SMILES for 1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine is COCCN(CCOC)S(=O)(=O)NCCN1CCNCC1.
What is the InChIKey of 1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine?
The InChIKey is OARQRNMPZOEGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O4S/c1-19-11-9-16(10-12-20-2)21(17,18)14-5-8-15-6-3-13-4-7-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine?
1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine has a molecular weight of 324.45 g/mol, XLogP of -1.68, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine is sourced from PubChem (CID 119966689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).