2-(4-methylsulfonylpiperazin-1-yl)ethanamine

C7H17N3O2S — CID 43252224

IUPAC2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCS(=O)(=O)N1CCN(CCN)CC1
InChIInChI=1S/C7H17N3O2S/c1-13(11,12)10-6-4-9(3-2-8)5-7-10/h2-8H2,1H3
InChIKeyDYVOXHLRPHXAEY-UHFFFAOYSA-N
MW207.30 g/mol
LogP-1.48
Rot. Bonds3

About 2-(4-methylsulfonylpiperazin-1-yl)ethanamine

2-(4-methylsulfonylpiperazin-1-yl)ethanamine (PubChem CID 43252224) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)ethanamine
PubChem CID43252224
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCS(=O)(=O)N1CCN(CCN)CC1
InChIInChI=1S/C7H17N3O2S/c1-13(11,12)10-6-4-9(3-2-8)5-7-10/h2-8H2,1H3
InChIKeyDYVOXHLRPHXAEY-UHFFFAOYSA-N
XLogP-1.48
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Ethanesulfonyl)piperazine
CID 415294
1-(Methylsulfonyl)piperazine
CID 709161
1-Methanesulfonylpiperazine hydrochloride
CID 16265612
1-(Methanesulfonyl)-4-methylpiperazine
CID 817770
1-(1-Propanesulfonyl)piperazine
CID 832241
2-(Piperazin-1-yl)ethane-1-sulfonamide
CID 54595802
4-(Methylsulfonyl)piperazin-1-ium chloride
CID 68731830
Dimethyl((piperazine-1-sulfonyl)imino)-lambda6-sulfanone
CID 121552782
1-Ethyl-4-(methylsulfonyl)piperazine
CID 4205089
2-(4-Methylpiperazine-1-sulfonyl)ethan-1-amine
CID 22692376
N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide
CID 60703057
1-(Isopropylsulfonyl)piperazine
CID 22562851

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)ethanamine (CID 43252224) is 2-(4-methylsulfonylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)ethanamine is CS(=O)(=O)N1CCN(CCN)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The InChIKey is DYVOXHLRPHXAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-13(11,12)10-6-4-9(3-2-8)5-7-10/h2-8H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
2-(4-methylsulfonylpiperazin-1-yl)ethanamine has a molecular weight of 207.30 g/mol, XLogP of -1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 43252224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).