tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate

C17H25NO5S — CID 135078204

IUPACtert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)N(O)C(C1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H25NO5S/c1-17(2,3)23-16(19)18(20)15(13-9-7-8-10-13)24(21,22)14-11-5-4-6-12-14/h4-6,11-13,15,20H,7-10H2,1-3H3
InChIKeyVWVJJSWUCVURHO-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.60
Rot. Bonds4

About tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate

tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate (PubChem CID 135078204) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate.

Molecular Properties

Compound Nametert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate
PubChem CID135078204
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Nametert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)N(O)C(C1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H25NO5S/c1-17(2,3)23-16(19)18(20)15(13-9-7-8-10-13)24(21,22)14-11-5-4-6-12-14/h4-6,11-13,15,20H,7-10H2,1-3H3
InChIKeyVWVJJSWUCVURHO-UHFFFAOYSA-N
XLogP3.60
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[3-(benzenesulfonyl)propyl]-N-cyclohexylcarbamate
CID 19593183
(R)-2,3-dihydro-1H-inden-2-yl-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methanesulfonic acid
CID 91191409
tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane
CID 175359448
tert-butyl N-[benzenesulfonyl(naphthalen-1-yl)methyl]-N-methylcarbamate
CID 68507397
3-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 151027813
(3R)-3-[bis(benzenesulfonyl)methyl]cyclopentadecan-1-one
CID 51040360
tert-butyl N-[cyclobutyl-(4-methylphenyl)sulfonylmethyl]carbamate
CID 164726165
5-[benzenesulfonyl(cyclopentyl)methyl]-2,2-dimethylfuran-3-one
CID 54539827
(3S)-3-[(1S)-1-(benzenesulfonyl)-2-methylprop-2-enyl]cyclohexan-1-one
CID 10780001
tert-butyl N-[(Z,1R)-1-cyclohexyl-4-oxobut-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate
CID 102085453
tert-butyl 3-[4-(benzenesulfonyl)phenyl]azetidine-1-carboxylate
CID 162745981
tert-butyl N-[(2S)-3-cyclohexyl-2-(dibenzylamino)propyl]-N-methylcarbamate
CID 141276838

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate?
The IUPAC name of tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate (CID 135078204) is tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate.
What is the SMILES notation for tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate?
The canonical SMILES for tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate is CC(C)(C)OC(=O)N(O)C(C1CCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate?
The InChIKey is VWVJJSWUCVURHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-17(2,3)23-16(19)18(20)15(13-9-7-8-10-13)24(21,22)14-11-5-4-6-12-14/h4-6,11-13,15,20H,7-10H2,1-3H3.
What are the key properties of tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate?
tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate has a molecular weight of 355.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[benzenesulfonyl(cyclopentyl)methyl]-N-hydroxycarbamate is sourced from PubChem (CID 135078204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).