ethenamine;1-methyl-4-methylsulfonylpiperazine

C8H19N3O2S — CID 21311598

IUPACethenamine;1-methyl-4-methylsulfonylpiperazine
SMILESC=CN.CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O2S.C2H5N/c1-7-3-5-8(6-4-7)11(2,9)10;1-2-3/h3-6H2,1-2H3;2H,1,3H2
InChIKeyLVXYPBIEHFEXAY-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.72
Rot. Bonds1

About ethenamine;1-methyl-4-methylsulfonylpiperazine

ethenamine;1-methyl-4-methylsulfonylpiperazine (PubChem CID 21311598) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is ethenamine;1-methyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Nameethenamine;1-methyl-4-methylsulfonylpiperazine
PubChem CID21311598
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Nameethenamine;1-methyl-4-methylsulfonylpiperazine
SMILESC=CN.CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O2S.C2H5N/c1-7-3-5-8(6-4-7)11(2,9)10;1-2-3/h3-6H2,1-2H3;2H,1,3H2
InChIKeyLVXYPBIEHFEXAY-UHFFFAOYSA-N
XLogP-0.72
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylpiperazine-1-sulfonamide
CID 14326005
ethenyl 4-methylsulfonylpiperazine-1-sulfonate
CID 170994791
4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide
CID 136512519
1-iodo-4-methylsulfonylpiperazine
CID 129191929
4-methylsulfonylpiperazine-1-carbaldehyde;hydrochloride
CID 175152315
4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 56922206
(Z)-2-(4-methylpiperazine-1-carbonyl)-3-(4-methylsulfonylpiperazin-1-yl)prop-2-enenitrile
CID 108862126
1-hexyl-4-methylsulfonylpiperazine
CID 91481078
sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane
CID 67593861
7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 145315592
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
4-methylsulfonylpiperazine-1-carbothioamide
CID 59945711

Frequently Asked Questions

What is the IUPAC name of ethenamine;1-methyl-4-methylsulfonylpiperazine?
The IUPAC name of ethenamine;1-methyl-4-methylsulfonylpiperazine (CID 21311598) is ethenamine;1-methyl-4-methylsulfonylpiperazine.
What is the SMILES notation for ethenamine;1-methyl-4-methylsulfonylpiperazine?
The canonical SMILES for ethenamine;1-methyl-4-methylsulfonylpiperazine is C=CN.CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of ethenamine;1-methyl-4-methylsulfonylpiperazine?
The InChIKey is LVXYPBIEHFEXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.C2H5N/c1-7-3-5-8(6-4-7)11(2,9)10;1-2-3/h3-6H2,1-2H3;2H,1,3H2.
What are the key properties of ethenamine;1-methyl-4-methylsulfonylpiperazine?
ethenamine;1-methyl-4-methylsulfonylpiperazine has a molecular weight of 221.33 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;1-methyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 21311598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).