N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide

C11H23N3O3S — CID 114120032

IUPACN-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide
SMILESCOC1CC(NS(=O)(=O)CCN2CCNCC2)C1
InChIInChI=1S/C11H23N3O3S/c1-17-11-8-10(9-11)13-18(15,16)7-6-14-4-2-12-3-5-14/h10-13H,2-9H2,1H3
InChIKeyRLNBPBSMYMNSHS-UHFFFAOYSA-N
MW277.39 g/mol
LogP-1.01
Rot. Bonds6

About N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide

N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 114120032) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide
PubChem CID114120032
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide
SMILESCOC1CC(NS(=O)(=O)CCN2CCNCC2)C1
InChIInChI=1S/C11H23N3O3S/c1-17-11-8-10(9-11)13-18(15,16)7-6-14-4-2-12-3-5-14/h10-13H,2-9H2,1H3
InChIKeyRLNBPBSMYMNSHS-UHFFFAOYSA-N
XLogP-1.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
CID 64743714
2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
CID 79351202
N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
CID 79878269
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide
CID 65048551
1-[6-(3-methoxycyclobutyl)hexyl]piperazine
CID 167217556
N-octan-4-yl-2-piperazin-1-ylethanesulfonamide
CID 106027308
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-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 55225882
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
CID 61458394
2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 86611202

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide (CID 114120032) is N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide is COC1CC(NS(=O)(=O)CCN2CCNCC2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is RLNBPBSMYMNSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-17-11-8-10(9-11)13-18(15,16)7-6-14-4-2-12-3-5-14/h10-13H,2-9H2,1H3.
What are the key properties of N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide?
N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 114120032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).