N-octan-4-yl-2-piperazin-1-ylethanesulfonamide

C14H31N3O2S — CID 106027308

IUPACN-octan-4-yl-2-piperazin-1-ylethanesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C14H31N3O2S/c1-3-5-7-14(6-4-2)16-20(18,19)13-12-17-10-8-15-9-11-17/h14-16H,3-13H2,1-2H3
InChIKeyXYBFQTIOMKNSHI-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.17
Rot. Bonds10

About N-octan-4-yl-2-piperazin-1-ylethanesulfonamide

N-octan-4-yl-2-piperazin-1-ylethanesulfonamide (PubChem CID 106027308) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-octan-4-yl-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-octan-4-yl-2-piperazin-1-ylethanesulfonamide
PubChem CID106027308
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC NameN-octan-4-yl-2-piperazin-1-ylethanesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C14H31N3O2S/c1-3-5-7-14(6-4-2)16-20(18,19)13-12-17-10-8-15-9-11-17/h14-16H,3-13H2,1-2H3
InChIKeyXYBFQTIOMKNSHI-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-2-yl-2-piperazin-1-ylethanesulfonamide
CID 54973633
N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide
CID 64643816
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
CID 119966256
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide
CID 65048551
2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
CID 79351202
1-(3-decylsulfonylpropyl)piperazine
CID 150001783
N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide
CID 114120032
2-(2-piperazin-1-ylethyl)hexanoic acid
CID 142749407
2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide
CID 83144360
N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide
CID 106029723
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-octan-4-yl-2-piperazin-1-ylethanesulfonamide (CID 106027308) is N-octan-4-yl-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-octan-4-yl-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-octan-4-yl-2-piperazin-1-ylethanesulfonamide is CCCCC(CCC)NS(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-octan-4-yl-2-piperazin-1-ylethanesulfonamide?
The InChIKey is XYBFQTIOMKNSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-3-5-7-14(6-4-2)16-20(18,19)13-12-17-10-8-15-9-11-17/h14-16H,3-13H2,1-2H3.
What are the key properties of N-octan-4-yl-2-piperazin-1-ylethanesulfonamide?
N-octan-4-yl-2-piperazin-1-ylethanesulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 106027308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).