methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate

C10H21NO4S — CID 55248694

IUPACmethyl 4-[tert-butylsulfonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO4S/c1-10(2,3)16(13,14)11(4)8-6-7-9(12)15-5/h6-8H2,1-5H3
InChIKeyCCWSCCMCELZJCA-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.00
Rot. Bonds5

About methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate

methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate (PubChem CID 55248694) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[tert-butylsulfonyl(methyl)amino]butanoate
PubChem CID55248694
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Namemethyl 4-[tert-butylsulfonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO4S/c1-10(2,3)16(13,14)11(4)8-6-7-9(12)15-5/h6-8H2,1-5H3
InChIKeyCCWSCCMCELZJCA-UHFFFAOYSA-N
XLogP1.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate (CID 55248694) is methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate is COC(=O)CCCN(C)S(=O)(=O)C(C)(C)C.
What is the InChIKey of methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate?
The InChIKey is CCWSCCMCELZJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-10(2,3)16(13,14)11(4)8-6-7-9(12)15-5/h6-8H2,1-5H3.
What are the key properties of methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate?
methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate has a molecular weight of 251.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butylsulfonyl(methyl)amino]butanoate is sourced from PubChem (CID 55248694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).