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

C13H27N3O2S — CID 79351202

IUPAC2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
SMILESCC1(C)C(NS(=O)(=O)CCN2CCNCC2)C1(C)C
InChIInChI=1S/C13H27N3O2S/c1-12(2)11(13(12,3)4)15-19(17,18)10-9-16-7-5-14-6-8-16/h11,14-15H,5-10H2,1-4H3
InChIKeyLBQMVIXQLBRUSA-UHFFFAOYSA-N
MW289.45 g/mol
LogP0.25
Rot. Bonds5

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

2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide (PubChem CID 79351202) has the molecular formula C13H27N3O2S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
PubChem CID79351202
Molecular FormulaC13H27N3O2S
Molecular Weight289.45 g/mol
Exact Mass289.18
IUPAC Name2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
SMILESCC1(C)C(NS(=O)(=O)CCN2CCNCC2)C1(C)C
InChIInChI=1S/C13H27N3O2S/c1-12(2)11(13(12,3)4)15-19(17,18)10-9-16-7-5-14-6-8-16/h11,14-15H,5-10H2,1-4H3
InChIKeyLBQMVIXQLBRUSA-UHFFFAOYSA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
CID 79878269
N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide
CID 114120032
N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
CID 64743714
N-pentan-2-yl-2-piperazin-1-ylethanesulfonamide
CID 54973633
N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide
CID 64643816
2-piperazin-1-ylethanesulfonamide
CID 54595802
N-octan-4-yl-2-piperazin-1-ylethanesulfonamide
CID 106027308
2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 86611202
2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide
CID 83144360
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide
CID 65048551
N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 55225882
dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane
CID 145139146

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide?
The IUPAC name of 2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide (CID 79351202) is 2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide.
What is the SMILES notation for 2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide?
The canonical SMILES for 2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide is CC1(C)C(NS(=O)(=O)CCN2CCNCC2)C1(C)C.
What is the InChIKey of 2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide?
The InChIKey is LBQMVIXQLBRUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-12(2)11(13(12,3)4)15-19(17,18)10-9-16-7-5-14-6-8-16/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide?
2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide has a molecular weight of 289.45 g/mol, XLogP of 0.25, 5 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-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide is sourced from PubChem (CID 79351202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).