3-piperazin-1-yl-N-propylazetidine-1-sulfonamide

C10H22N4O2S — CID 114811018

IUPAC3-piperazin-1-yl-N-propylazetidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C10H22N4O2S/c1-2-3-12-17(15,16)14-8-10(9-14)13-6-4-11-5-7-13/h10-12H,2-9H2,1H3
InChIKeyFNRJDVAABNOCER-UHFFFAOYSA-N
MW262.38 g/mol
LogP-1.18
Rot. Bonds5

About 3-piperazin-1-yl-N-propylazetidine-1-sulfonamide

3-piperazin-1-yl-N-propylazetidine-1-sulfonamide (PubChem CID 114811018) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-piperazin-1-yl-N-propylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-piperazin-1-yl-N-propylazetidine-1-sulfonamide
PubChem CID114811018
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name3-piperazin-1-yl-N-propylazetidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C10H22N4O2S/c1-2-3-12-17(15,16)14-8-10(9-14)13-6-4-11-5-7-13/h10-12H,2-9H2,1H3
InChIKeyFNRJDVAABNOCER-UHFFFAOYSA-N
XLogP-1.18
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
N-[2-(methylamino)ethyl]piperazine-1-sulfonamide
CID 117126296
N-(3-propoxypropyl)piperazine-1-sulfonamide
CID 82943293
N-[2-[ethyl(propyl)amino]ethyl]piperazine-1-sulfonamide
CID 114134192
N-(2-methylsulfanylethyl)piperazine-1-sulfonamide
CID 63958312
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
1-[1-(propylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 114806600
1-(1-heptan-4-ylazetidin-3-yl)piperazine
CID 66203956
4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
CID 114809776
3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide
CID 114809965
2,6-dimethyl-N-propylpiperazine-1-sulfonamide
CID 114810806
4-amino-N-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-sulfonamide
CID 114811337

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-N-propylazetidine-1-sulfonamide?
The IUPAC name of 3-piperazin-1-yl-N-propylazetidine-1-sulfonamide (CID 114811018) is 3-piperazin-1-yl-N-propylazetidine-1-sulfonamide.
What is the SMILES notation for 3-piperazin-1-yl-N-propylazetidine-1-sulfonamide?
The canonical SMILES for 3-piperazin-1-yl-N-propylazetidine-1-sulfonamide is CCCNS(=O)(=O)N1CC(N2CCNCC2)C1.
What is the InChIKey of 3-piperazin-1-yl-N-propylazetidine-1-sulfonamide?
The InChIKey is FNRJDVAABNOCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-2-3-12-17(15,16)14-8-10(9-14)13-6-4-11-5-7-13/h10-12H,2-9H2,1H3.
What are the key properties of 3-piperazin-1-yl-N-propylazetidine-1-sulfonamide?
3-piperazin-1-yl-N-propylazetidine-1-sulfonamide has a molecular weight of 262.38 g/mol, XLogP of -1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-N-propylazetidine-1-sulfonamide is sourced from PubChem (CID 114811018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).