methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate

C12H25N3O4S — CID 78971806

IUPACmethyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(S(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C12H25N3O4S/c1-11(2)13(3)20(17,18)15-9-7-14(8-10-15)6-5-12(16)19-4/h11H,5-10H2,1-4H3
InChIKeyRBWGQAGOWRZVLC-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.25
Rot. Bonds6

About methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate

methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate (PubChem CID 78971806) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate
PubChem CID78971806
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Namemethyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(S(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C12H25N3O4S/c1-11(2)13(3)20(17,18)15-9-7-14(8-10-15)6-5-12(16)19-4/h11H,5-10H2,1-4H3
InChIKeyRBWGQAGOWRZVLC-UHFFFAOYSA-N
XLogP-0.25
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid
CID 61455914
methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate
CID 47812170
methyl 3-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]propanoate
CID 82842074
methyl 3-[4-(3-chloropropylsulfonyl)piperazin-1-yl]propanoate
CID 115536332
methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate
CID 78984019
propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 115536096
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-(4-prop-2-enylsulfonylpiperazin-1-yl)propanoate
CID 115536242
methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
CID 78918620
methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
CID 113252132
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
CID 61455645

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate (CID 78971806) is methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate is COC(=O)CCN1CCN(S(=O)(=O)N(C)C(C)C)CC1.
What is the InChIKey of methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate?
The InChIKey is RBWGQAGOWRZVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-11(2)13(3)20(17,18)15-9-7-14(8-10-15)6-5-12(16)19-4/h11H,5-10H2,1-4H3.
What are the key properties of methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate?
methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate has a molecular weight of 307.42 g/mol, XLogP of -0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 78971806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).