2,5-diethyl-N-methylpiperazine-1-sulfonamide

C9H21N3O2S — CID 114810900

IUPAC2,5-diethyl-N-methylpiperazine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)NC)C(CC)CN1
InChIInChI=1S/C9H21N3O2S/c1-4-8-7-12(15(13,14)10-3)9(5-2)6-11-8/h8-11H,4-7H2,1-3H3
InChIKeyZXHFBXDZNVTXKP-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.09
Rot. Bonds4

About 2,5-diethyl-N-methylpiperazine-1-sulfonamide

2,5-diethyl-N-methylpiperazine-1-sulfonamide (PubChem CID 114810900) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2,5-diethyl-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name2,5-diethyl-N-methylpiperazine-1-sulfonamide
PubChem CID114810900
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2,5-diethyl-N-methylpiperazine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)NC)C(CC)CN1
InChIInChI=1S/C9H21N3O2S/c1-4-8-7-12(15(13,14)10-3)9(5-2)6-11-8/h8-11H,4-7H2,1-3H3
InChIKeyZXHFBXDZNVTXKP-UHFFFAOYSA-N
XLogP-0.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate
CID 114464913
1-(difluoromethylsulfonyl)-2,5-diethylpiperazine
CID 64978816
N,N,2,5-tetraethylpiperazine-1-sulfonamide
CID 64978285
2,5-diethyl-1-(4,4,4-trifluorobutylsulfonyl)piperazine
CID 83059996
2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 64978298
1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine
CID 64978296
1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine
CID 64978780
1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine
CID 64978223
2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide
CID 64979148
2,5-diethyl-1-(2-methylbutan-2-yl)piperazine
CID 64931243
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide
CID 64978759

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 2,5-diethyl-N-methylpiperazine-1-sulfonamide (CID 114810900) is 2,5-diethyl-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 2,5-diethyl-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 2,5-diethyl-N-methylpiperazine-1-sulfonamide is CCC1CN(S(=O)(=O)NC)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-N-methylpiperazine-1-sulfonamide?
The InChIKey is ZXHFBXDZNVTXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-4-8-7-12(15(13,14)10-3)9(5-2)6-11-8/h8-11H,4-7H2,1-3H3.
What are the key properties of 2,5-diethyl-N-methylpiperazine-1-sulfonamide?
2,5-diethyl-N-methylpiperazine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 114810900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).