4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid

C8H17N3O4S — CID 69263865

IUPAC4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid
SMILESCS(=O)(=O)NCCN1CCN(C(=O)O)CC1
InChIInChI=1S/C8H17N3O4S/c1-16(14,15)9-2-3-10-4-6-11(7-5-10)8(12)13/h9H,2-7H2,1H3,(H,12,13)
InChIKeyTXVHVOHGQVKMTD-UHFFFAOYSA-N
MW251.31 g/mol
LogP-1.17
Rot. Bonds4

About 4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid

4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid (PubChem CID 69263865) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid
PubChem CID69263865
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Name4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid
SMILESCS(=O)(=O)NCCN1CCN(C(=O)O)CC1
InChIInChI=1S/C8H17N3O4S/c1-16(14,15)9-2-3-10-4-6-11(7-5-10)8(12)13/h9H,2-7H2,1H3,(H,12,13)
InChIKeyTXVHVOHGQVKMTD-UHFFFAOYSA-N
XLogP-1.17
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid (CID 69263865) is 4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid is CS(=O)(=O)NCCN1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid?
The InChIKey is TXVHVOHGQVKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-16(14,15)9-2-3-10-4-6-11(7-5-10)8(12)13/h9H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid?
4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid has a molecular weight of 251.31 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 69263865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).