methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate

C19H24N2O4S — CID 11950217

IUPACmethyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O4S/c1-19(2,18(22)25-3)20-11-13-21(14-12-20)26(23,24)17-10-6-8-15-7-4-5-9-16(15)17/h4-10H,11-14H2,1-3H3
InChIKeyDGMRNTYUIHHZKP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.10
Rot. Bonds4

About methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate

methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate (PubChem CID 11950217) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate
PubChem CID11950217
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Namemethyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O4S/c1-19(2,18(22)25-3)20-11-13-21(14-12-20)26(23,24)17-10-6-8-15-7-4-5-9-16(15)17/h4-10H,11-14H2,1-3H3
InChIKeyDGMRNTYUIHHZKP-UHFFFAOYSA-N
XLogP2.10
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate (CID 11950217) is methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate is COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate?
The InChIKey is DGMRNTYUIHHZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,18(22)25-3)20-11-13-21(14-12-20)26(23,24)17-10-6-8-15-7-4-5-9-16(15)17/h4-10H,11-14H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate?
methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate has a molecular weight of 376.48 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)propanoate is sourced from PubChem (CID 11950217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).