2-piperazin-1-ylsulfonylethanamine

C6H15N3O2S — CID 16762501

IUPAC2-piperazin-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C6H15N3O2S/c7-1-6-12(10,11)9-4-2-8-3-5-9/h8H,1-7H2
InChIKeyOJIVLWDRYFSBGU-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.82
Rot. Bonds3

About 2-piperazin-1-ylsulfonylethanamine

2-piperazin-1-ylsulfonylethanamine (PubChem CID 16762501) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-piperazin-1-ylsulfonylethanamine.

Molecular Properties

Compound Name2-piperazin-1-ylsulfonylethanamine
PubChem CID16762501
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Name2-piperazin-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C6H15N3O2S/c7-1-6-12(10,11)9-4-2-8-3-5-9/h8H,1-7H2
InChIKeyOJIVLWDRYFSBGU-UHFFFAOYSA-N
XLogP-1.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-ylsulfonyl)ethanamine
CID 22692377
1-butylsulfonylpiperazine
CID 16769079
3-piperazin-1-ylsulfonylpropanoic acid
CID 61405457
1-(2-aminoethylsulfonyl)piperidin-4-one
CID 131168704
1-(2-aminoethylsulfonyl)piperidin-4-ol
CID 16781197
1-(3-methoxypropylsulfonyl)piperazine;hydrochloride
CID 71756651
piperazine-1-sulfonamide;hydrochloride
CID 67467256
1-(2-piperazin-1-ylethylsulfonyl)azepane
CID 54974083
4-(2-aminoethylsulfonyl)-1,4-diazepan-2-one
CID 65366505
2-[(1-oxo-1,4-thiazepan-4-yl)sulfonyl]ethanamine
CID 127001312
1-[3-(2-methylimidazol-1-yl)propylsulfonyl]piperazine
CID 141339098
2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine
CID 164659352

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylsulfonylethanamine?
The IUPAC name of 2-piperazin-1-ylsulfonylethanamine (CID 16762501) is 2-piperazin-1-ylsulfonylethanamine.
What is the SMILES notation for 2-piperazin-1-ylsulfonylethanamine?
The canonical SMILES for 2-piperazin-1-ylsulfonylethanamine is NCCS(=O)(=O)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylsulfonylethanamine?
The InChIKey is OJIVLWDRYFSBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c7-1-6-12(10,11)9-4-2-8-3-5-9/h8H,1-7H2.
What are the key properties of 2-piperazin-1-ylsulfonylethanamine?
2-piperazin-1-ylsulfonylethanamine has a molecular weight of 193.27 g/mol, XLogP of -1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylsulfonylethanamine is sourced from PubChem (CID 16762501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).