4-propylsulfonylpiperazine-1-carbaldehyde

C8H16N2O3S — CID 60643312

IUPAC4-propylsulfonylpiperazine-1-carbaldehyde
SMILESCCCS(=O)(=O)N1CCN(C=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-2-7-14(12,13)10-5-3-9(8-11)4-6-10/h8H,2-7H2,1H3
InChIKeyYADZUDCCXKYMLV-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.50
Rot. Bonds4

About 4-propylsulfonylpiperazine-1-carbaldehyde

4-propylsulfonylpiperazine-1-carbaldehyde (PubChem CID 60643312) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-propylsulfonylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-propylsulfonylpiperazine-1-carbaldehyde
PubChem CID60643312
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name4-propylsulfonylpiperazine-1-carbaldehyde
SMILESCCCS(=O)(=O)N1CCN(C=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-2-7-14(12,13)10-5-3-9(8-11)4-6-10/h8H,2-7H2,1H3
InChIKeyYADZUDCCXKYMLV-UHFFFAOYSA-N
XLogP-0.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-butylsulfonylpiperazine-1-carbaldehyde
CID 110755404
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
2-(4-formylpiperazin-1-yl)sulfonylacetonitrile
CID 130652130
4-methylsulfonylpiperazine-1-carbaldehyde;hydrochloride
CID 175152315
1-(benzenesulfonyl)-4-propylsulfonylpiperazine
CID 719624
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine
CID 7271010
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene
CID 172882114
1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
CID 110819045
3-(4-propylsulfonylpiperazin-1-yl)propanenitrile
CID 28705422
4-propylsulfonyl-1,4-oxazepane
CID 62067172

Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonylpiperazine-1-carbaldehyde?
The IUPAC name of 4-propylsulfonylpiperazine-1-carbaldehyde (CID 60643312) is 4-propylsulfonylpiperazine-1-carbaldehyde.
What is the SMILES notation for 4-propylsulfonylpiperazine-1-carbaldehyde?
The canonical SMILES for 4-propylsulfonylpiperazine-1-carbaldehyde is CCCS(=O)(=O)N1CCN(C=O)CC1.
What is the InChIKey of 4-propylsulfonylpiperazine-1-carbaldehyde?
The InChIKey is YADZUDCCXKYMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-2-7-14(12,13)10-5-3-9(8-11)4-6-10/h8H,2-7H2,1H3.
What are the key properties of 4-propylsulfonylpiperazine-1-carbaldehyde?
4-propylsulfonylpiperazine-1-carbaldehyde has a molecular weight of 220.29 g/mol, XLogP of -0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonylpiperazine-1-carbaldehyde is sourced from PubChem (CID 60643312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).