4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide

C11H24N4O3S — CID 54916794

IUPAC4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
SMILESCC(C)(C)NCCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C11H24N4O3S/c1-11(2,3)13-5-4-10(16)14-6-8-15(9-7-14)19(12,17)18/h13H,4-9H2,1-3H3,(H2,12,17,18)
InChIKeyJDRFKIKIBAPSHW-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.89
Rot. Bonds4

About 4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide

4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide (PubChem CID 54916794) has the molecular formula C11H24N4O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
PubChem CID54916794
Molecular FormulaC11H24N4O3S
Molecular Weight292.40 g/mol
Exact Mass292.16
IUPAC Name4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
SMILESCC(C)(C)NCCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C11H24N4O3S/c1-11(2,3)13-5-4-10(16)14-6-8-15(9-7-14)19(12,17)18/h13H,4-9H2,1-3H3,(H2,12,17,18)
InChIKeyJDRFKIKIBAPSHW-UHFFFAOYSA-N
XLogP-0.89
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
1-[4-[3-(tert-butylamino)propanoyl]piperazin-1-yl]-4,4-dimethylpentan-1-one
CID 167119689
3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 61430295
3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 60849525
3-(tert-butylamino)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 60851640
4-pentanoylpiperazine-1-sulfonamide
CID 61072587
3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 54873639
4-(4-hydroxybutanoyl)piperazine-1-sulfonamide
CID 79191251
6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid
CID 54916393
4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
CID 61130329
4-pent-4-ynoylpiperazine-1-sulfonamide
CID 106741442
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621

Frequently Asked Questions

What is the IUPAC name of 4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide (CID 54916794) is 4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide is CC(C)(C)NCCC(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide?
The InChIKey is JDRFKIKIBAPSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-11(2,3)13-5-4-10(16)14-6-8-15(9-7-14)19(12,17)18/h13H,4-9H2,1-3H3,(H2,12,17,18).
What are the key properties of 4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide?
4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 54916794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).