tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate

C14H23NO3S — CID 24813332

IUPACtert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate
SMILESCC(C)CC(c1cccs1)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO3S/c1-10(2)9-11(12-7-6-8-19-12)15(17)13(16)18-14(3,4)5/h6-8,10-11,17H,9H2,1-5H3
InChIKeyKGIKRKFFOLVCAP-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate

tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate (PubChem CID 24813332) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate
PubChem CID24813332
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Nametert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate
SMILESCC(C)CC(c1cccs1)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO3S/c1-10(2)9-11(12-7-6-8-19-12)15(17)13(16)18-14(3,4)5/h6-8,10-11,17H,9H2,1-5H3
InChIKeyKGIKRKFFOLVCAP-UHFFFAOYSA-N
XLogP4.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate (CID 24813332) is tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate is CC(C)CC(c1cccs1)N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate?
The InChIKey is KGIKRKFFOLVCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10(2)9-11(12-7-6-8-19-12)15(17)13(16)18-14(3,4)5/h6-8,10-11,17H,9H2,1-5H3.
What are the key properties of tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate?
tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate has a molecular weight of 285.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate is sourced from PubChem (CID 24813332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).