2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide

C16H34N2O5S — CID 91272094

IUPAC2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)C.CCC(C)(C)C(=O)OCCS(N)(=O)=O
InChIInChI=1S/C8H17NO4S.C8H17NO/c1-4-8(2,3)7(10)13-5-6-14(9,11)12;1-6-8(2,3)7(10)9(4)5/h4-6H2,1-3H3,(H2,9,11,12);6H2,1-5H3
InChIKeyLTIPVOCPBJFZHX-UHFFFAOYSA-N
MW366.52 g/mol
LogP1.77
Rot. Bonds7

About 2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide

2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide (PubChem CID 91272094) has the molecular formula C16H34N2O5S and a molecular weight of 366.52 g/mol. Its IUPAC name is 2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide.

Molecular Properties

Compound Name2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide
PubChem CID91272094
Molecular FormulaC16H34N2O5S
Molecular Weight366.52 g/mol
Exact Mass366.22
IUPAC Name2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)C.CCC(C)(C)C(=O)OCCS(N)(=O)=O
InChIInChI=1S/C8H17NO4S.C8H17NO/c1-4-8(2,3)7(10)13-5-6-14(9,11)12;1-6-8(2,3)7(10)9(4)5/h4-6H2,1-3H3,(H2,9,11,12);6H2,1-5H3
InChIKeyLTIPVOCPBJFZHX-UHFFFAOYSA-N
XLogP1.77
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.52
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide?
The IUPAC name of 2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide (CID 91272094) is 2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide.
What is the SMILES notation for 2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide?
The canonical SMILES for 2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide is CCC(C)(C)C(=O)N(C)C.CCC(C)(C)C(=O)OCCS(N)(=O)=O.
What is the InChIKey of 2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide?
The InChIKey is LTIPVOCPBJFZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S.C8H17NO/c1-4-8(2,3)7(10)13-5-6-14(9,11)12;1-6-8(2,3)7(10)9(4)5/h4-6H2,1-3H3,(H2,9,11,12);6H2,1-5H3.
What are the key properties of 2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide?
2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide has a molecular weight of 366.52 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide is sourced from PubChem (CID 91272094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).