4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide

C11H22N4O3S — CID 81172470

IUPAC4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide
SMILESNCC1(CC(=O)N2CCN(S(N)(=O)=O)CC2)CCC1
InChIInChI=1S/C11H22N4O3S/c12-9-11(2-1-3-11)8-10(16)14-4-6-15(7-5-14)19(13,17)18/h1-9,12H2,(H2,13,17,18)
InChIKeyAOCCCGNAJGRKBU-UHFFFAOYSA-N
MW290.39 g/mol
LogP-1.15
Rot. Bonds4

About 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide

4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide (PubChem CID 81172470) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide
PubChem CID81172470
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide
SMILESNCC1(CC(=O)N2CCN(S(N)(=O)=O)CC2)CCC1
InChIInChI=1S/C11H22N4O3S/c12-9-11(2-1-3-11)8-10(16)14-4-6-15(7-5-14)19(13,17)18/h1-9,12H2,(H2,13,17,18)
InChIKeyAOCCCGNAJGRKBU-UHFFFAOYSA-N
XLogP-1.15
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide (CID 81172470) is 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide is NCC1(CC(=O)N2CCN(S(N)(=O)=O)CC2)CCC1.
What is the InChIKey of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide?
The InChIKey is AOCCCGNAJGRKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c12-9-11(2-1-3-11)8-10(16)14-4-6-15(7-5-14)19(13,17)18/h1-9,12H2,(H2,13,17,18).
What are the key properties of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide?
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of -1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 81172470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).