N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride

C12H26ClN3O3S — CID 71782783

IUPACN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride
SMILESCCCCC(=O)NCCN1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-3-4-5-12(16)13-6-7-14-8-10-15(11-9-14)19(2,17)18;/h3-11H2,1-2H3,(H,13,16);1H
InChIKeyGHLPQFXPOZBFID-UHFFFAOYSA-N
MW327.88 g/mol
LogP0.29
Rot. Bonds7

About N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride

N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride (PubChem CID 71782783) has the molecular formula C12H26ClN3O3S and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride
PubChem CID71782783
Molecular FormulaC12H26ClN3O3S
Molecular Weight327.88 g/mol
Exact Mass327.14
IUPAC NameN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride
SMILESCCCCC(=O)NCCN1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-3-4-5-12(16)13-6-7-14-8-10-15(11-9-14)19(2,17)18;/h3-11H2,1-2H3,(H,13,16);1H
InChIKeyGHLPQFXPOZBFID-UHFFFAOYSA-N
XLogP0.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride?
The IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride (CID 71782783) is N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride is CCCCC(=O)NCCN1CCN(S(C)(=O)=O)CC1.Cl.
What is the InChIKey of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride?
The InChIKey is GHLPQFXPOZBFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S.ClH/c1-3-4-5-12(16)13-6-7-14-8-10-15(11-9-14)19(2,17)18;/h3-11H2,1-2H3,(H,13,16);1H.
What are the key properties of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride?
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 71782783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).