N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide

C12H23N3O3S — CID 110406941

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide
SMILESCN1CCN(C(=O)CNS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-14-6-8-15(9-7-14)12(16)10-13-19(17,18)11-4-2-3-5-11/h11,13H,2-10H2,1H3
InChIKeyUBKUHCDDQVEJKZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.38
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide (PubChem CID 110406941) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide
PubChem CID110406941
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide
SMILESCN1CCN(C(=O)CNS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-14-6-8-15(9-7-14)12(16)10-13-19(17,18)11-4-2-3-5-11/h11,13H,2-10H2,1H3
InChIKeyUBKUHCDDQVEJKZ-UHFFFAOYSA-N
XLogP-0.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone
CID 110605960
N-(2-oxopropyl)cyclohexanesulfonamide
CID 64994168
2-(cycloheptylsulfonylamino)acetic acid
CID 22441691
2-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 110605936
2-(cyclohexylsulfonylamino)acetamide
CID 64591564
2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 55013400
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696
N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944377
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113153043

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide (CID 110406941) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide is CN1CCN(C(=O)CNS(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide?
The InChIKey is UBKUHCDDQVEJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-14-6-8-15(9-7-14)12(16)10-13-19(17,18)11-4-2-3-5-11/h11,13H,2-10H2,1H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide is sourced from PubChem (CID 110406941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).