2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide

C13H29N3O2S — CID 83144360

IUPAC2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide
SMILESCC(CNS(=O)(=O)CCN1CCNCC1)C(C)(C)C
InChIInChI=1S/C13H29N3O2S/c1-12(13(2,3)4)11-15-19(17,18)10-9-16-7-5-14-6-8-16/h12,14-15H,5-11H2,1-4H3
InChIKeyWUDUCNLBGAEHJL-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.49
Rot. Bonds6

About 2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide

2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide (PubChem CID 83144360) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide
PubChem CID83144360
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide
SMILESCC(CNS(=O)(=O)CCN1CCNCC1)C(C)(C)C
InChIInChI=1S/C13H29N3O2S/c1-12(13(2,3)4)11-15-19(17,18)10-9-16-7-5-14-6-8-16/h12,14-15H,5-11H2,1-4H3
InChIKeyWUDUCNLBGAEHJL-UHFFFAOYSA-N
XLogP0.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide
CID 65048551
N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide
CID 64643816
N-pentan-2-yl-2-piperazin-1-ylethanesulfonamide
CID 54973633
2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
CID 79351202
2-piperazin-1-ylethanesulfonamide
CID 54595802
N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 55225882
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
CID 119966256
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 106373825
N-octan-4-yl-2-piperazin-1-ylethanesulfonamide
CID 106027308
3-(cyclopropylamino)-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83147568
4,4,4-trifluoro-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide
CID 83068022
1-hydroxyethyl 2-piperazin-1-ylethanesulfonate
CID 87469546

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide?
The IUPAC name of 2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide (CID 83144360) is 2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide?
The canonical SMILES for 2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide is CC(CNS(=O)(=O)CCN1CCNCC1)C(C)(C)C.
What is the InChIKey of 2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide?
The InChIKey is WUDUCNLBGAEHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-12(13(2,3)4)11-15-19(17,18)10-9-16-7-5-14-6-8-16/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide?
2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide has a molecular weight of 291.46 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide is sourced from PubChem (CID 83144360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).