N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide

C11H21N3O3S — CID 47522413

IUPACN-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC1
InChIInChI=1S/C11H21N3O3S/c1-12(10-3-4-10)11(15)9-13-5-7-14(8-6-13)18(2,16)17/h10H,3-9H2,1-2H3
InChIKeyBQVYODAUGFZOJN-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.82
Rot. Bonds4

About N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide

N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 47522413) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID47522413
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC1
InChIInChI=1S/C11H21N3O3S/c1-12(10-3-4-10)11(15)9-13-5-7-14(8-6-13)18(2,16)17/h10H,3-9H2,1-2H3
InChIKeyBQVYODAUGFZOJN-UHFFFAOYSA-N
XLogP-0.82
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 47522413) is N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide is CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is BQVYODAUGFZOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-12(10-3-4-10)11(15)9-13-5-7-14(8-6-13)18(2,16)17/h10H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 275.37 g/mol, XLogP of -0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 47522413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).