tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate

C16H25NO3S — CID 24813472

IUPACtert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)N(O)C(c1cccs1)C1CCCCC1
InChIInChI=1S/C16H25NO3S/c1-16(2,3)20-15(18)17(19)14(13-10-7-11-21-13)12-8-5-4-6-9-12/h7,10-12,14,19H,4-6,8-9H2,1-3H3
InChIKeyNCLZIDYHJVLPQK-UHFFFAOYSA-N
MW311.45 g/mol
LogP5.00
Rot. Bonds3

About tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate

tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate (PubChem CID 24813472) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate.

Molecular Properties

Compound Nametert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate
PubChem CID24813472
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Nametert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)N(O)C(c1cccs1)C1CCCCC1
InChIInChI=1S/C16H25NO3S/c1-16(2,3)20-15(18)17(19)14(13-10-7-11-21-13)12-8-5-4-6-9-12/h7,10-12,14,19H,4-6,8-9H2,1-3H3
InChIKeyNCLZIDYHJVLPQK-UHFFFAOYSA-N
XLogP5.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 55.00
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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Related Compounds

Tert-butyl 4-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxylate
CID 53420459
tert-butyl N-hydroxy-N-(3-methyl-1-thiophen-2-ylbutyl)carbamate
CID 24813332
tert-butyl N-[cyclohex-2-en-1-yl(thiophen-2-yl)methyl]-N-hydroxycarbamate
CID 24813621
tert-butyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 101957249
Tert-butyl 4-hydroxy-3-thiophen-2-ylpiperazine-1-carboxylate
CID 102172584
tert-butyl N-[(1R,2E,4E)-5-phenyl-1-thiophen-2-ylpenta-2,4-dienyl]carbamate
CID 134954244
tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate
CID 134962959
tert-butyl (2R)-2-ethenyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylate
CID 162398881
tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 63787631
tert-Butyl 2-(thiophen-2-yl)piperidine-1-carboxylate
CID 10539786
tert-Butyl 2-(thiophen-2-yl)pyrrolidine-1-carboxylate
CID 10753392
tert-Butyloxycarbonyl-4-(dimethylamino)-4-(thiophen-2-yl)piperidine
CID 57831240

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate?
The IUPAC name of tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate (CID 24813472) is tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate.
What is the SMILES notation for tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate?
The canonical SMILES for tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate is CC(C)(C)OC(=O)N(O)C(c1cccs1)C1CCCCC1.
What is the InChIKey of tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate?
The InChIKey is NCLZIDYHJVLPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-16(2,3)20-15(18)17(19)14(13-10-7-11-21-13)12-8-5-4-6-9-12/h7,10-12,14,19H,4-6,8-9H2,1-3H3.
What are the key properties of tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate?
tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate has a molecular weight of 311.45 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[cyclohexyl(thiophen-2-yl)methyl]-N-hydroxycarbamate is sourced from PubChem (CID 24813472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).