methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate

C10H21N3O4S — CID 61254382

IUPACmethyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H21N3O4S/c1-9(10(14)17-3)8-12(2)18(15,16)13-6-4-11-5-7-13/h9,11H,4-8H2,1-3H3
InChIKeySRERRRQVQZTJCR-UHFFFAOYSA-N
MW279.36 g/mol
LogP-1.12
Rot. Bonds5

About methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate

methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate (PubChem CID 61254382) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate
PubChem CID61254382
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Namemethyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H21N3O4S/c1-9(10(14)17-3)8-12(2)18(15,16)13-6-4-11-5-7-13/h9,11H,4-8H2,1-3H3
InChIKeySRERRRQVQZTJCR-UHFFFAOYSA-N
XLogP-1.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate (CID 61254382) is methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate is COC(=O)C(C)CN(C)S(=O)(=O)N1CCNCC1.
What is the InChIKey of methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate?
The InChIKey is SRERRRQVQZTJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-9(10(14)17-3)8-12(2)18(15,16)13-6-4-11-5-7-13/h9,11H,4-8H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate?
methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate has a molecular weight of 279.36 g/mol, XLogP of -1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate is sourced from PubChem (CID 61254382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).