N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide

C13H25N3O3S — CID 51073855

IUPACN-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H25N3O3S/c1-11(13(17)14-12-5-3-4-6-12)15-7-9-16(10-8-15)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyNSIRMNZIUYZWFK-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.01
Rot. Bonds4

About N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide

N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide (PubChem CID 51073855) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide
PubChem CID51073855
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H25N3O3S/c1-11(13(17)14-12-5-3-4-6-12)15-7-9-16(10-8-15)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyNSIRMNZIUYZWFK-UHFFFAOYSA-N
XLogP0.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
N-(cyclopentylcarbamoyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 46595351
(2R)-N-cyclohexyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 40692056
(2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 30796038
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
(2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
CID 124612307
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 119877479
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 8512767
N-cyclopentyl-2-[4-(ethylamino)piperidin-1-yl]propanamide
CID 54923819
N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115745
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 18196363
N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide
CID 55482420

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide (CID 51073855) is N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide is CC(C(=O)NC1CCCC1)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is NSIRMNZIUYZWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-11(13(17)14-12-5-3-4-6-12)15-7-9-16(10-8-15)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide?
N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 303.43 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 51073855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).