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

C12H23N3O3S — CID 17376168

IUPACN-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCS(=O)(=O)N1CCN(CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)15-8-6-14(7-9-15)10-12(16)13-11-4-2-3-5-11/h11H,2-10H2,1H3,(H,13,16)
InChIKeyZEWJCQURDUWQOU-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.38
Rot. Bonds4

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

N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 17376168) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID17376168
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCS(=O)(=O)N1CCN(CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)15-8-6-14(7-9-15)10-12(16)13-11-4-2-3-5-11/h11H,2-10H2,1H3,(H,13,16)
InChIKeyZEWJCQURDUWQOU-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 17376168) is N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide is CS(=O)(=O)N1CCN(CC(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is ZEWJCQURDUWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-19(17,18)15-8-6-14(7-9-15)10-12(16)13-11-4-2-3-5-11/h11H,2-10H2,1H3,(H,13,16).
What are the key properties of N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide 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-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 17376168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).