1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate

C17H36N2O6S2 — CID 118348648

IUPAC1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate
SMILESCC(C)(C)CC(C)(C(=O)OC(CNS(C)(=O)=O)CNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C17H36N2O6S2/c1-15(2,3)12-17(7,16(4,5)6)14(20)25-13(10-18-26(8,21)22)11-19-27(9,23)24/h13,18-19H,10-12H2,1-9H3
InChIKeyFIGIJMRATGGBJR-UHFFFAOYSA-N
MW428.62 g/mol
LogP1.49
Rot. Bonds9

About 1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate

1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate (PubChem CID 118348648) has the molecular formula C17H36N2O6S2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate
PubChem CID118348648
Molecular FormulaC17H36N2O6S2
Molecular Weight428.62 g/mol
Exact Mass428.20
IUPAC Name1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate
SMILESCC(C)(C)CC(C)(C(=O)OC(CNS(C)(=O)=O)CNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C17H36N2O6S2/c1-15(2,3)12-17(7,16(4,5)6)14(20)25-13(10-18-26(8,21)22)11-19-27(9,23)24/h13,18-19H,10-12H2,1-9H3
InChIKeyFIGIJMRATGGBJR-UHFFFAOYSA-N
XLogP1.49
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate with MolForge

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Related Compounds

3-(methanesulfonamido)propyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 118348646
hexan-3-yl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 143968538
(1-methoxy-2-methylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate
CID 123574282
hexan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 123624932
(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-tert-butyl-2,4,4-trimethylpentanoate
CID 123364533
2,3,3-trimethylbutan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 59862030
[(E)-3-ethenylpent-3-en-2-yl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 144597357
3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 146492353
(2-tert-butyl-2,4,4-trimethylpentanoyl)oxycarbonylazanium
CID 148557065
2-hydroxyethyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 87664752
2,3-dihydroxypropyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 89277023
2-[2-(2-tert-butyl-2,4,4-trimethylpentanoyl)oxyethylamino]-2-oxoethanesulfonic acid
CID 146951884

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate?
The IUPAC name of 1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate (CID 118348648) is 1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate.
What is the SMILES notation for 1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate?
The canonical SMILES for 1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate is CC(C)(C)CC(C)(C(=O)OC(CNS(C)(=O)=O)CNS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of 1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate?
The InChIKey is FIGIJMRATGGBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O6S2/c1-15(2,3)12-17(7,16(4,5)6)14(20)25-13(10-18-26(8,21)22)11-19-27(9,23)24/h13,18-19H,10-12H2,1-9H3.
What are the key properties of 1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate?
1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate has a molecular weight of 428.62 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methanesulfonamido)propan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate is sourced from PubChem (CID 118348648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).