tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate

C17H27NO5S — CID 57022425

IUPACtert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate
SMILESCC(CN(C(=O)OC(C)(C)C)S(=O)(=O)C(C)C)c1ccc(O)cc1
InChIInChI=1S/C17H27NO5S/c1-12(2)24(21,22)18(16(20)23-17(4,5)6)11-13(3)14-7-9-15(19)10-8-14/h7-10,12-13,19H,11H2,1-6H3
InChIKeyCCCVPWSFZMXPSS-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.47
Rot. Bonds5

About tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate

tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate (PubChem CID 57022425) has the molecular formula C17H27NO5S and a molecular weight of 357.47 g/mol. Its IUPAC name is tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate
PubChem CID57022425
Molecular FormulaC17H27NO5S
Molecular Weight357.47 g/mol
Exact Mass357.16
IUPAC Nametert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate
SMILESCC(CN(C(=O)OC(C)(C)C)S(=O)(=O)C(C)C)c1ccc(O)cc1
InChIInChI=1S/C17H27NO5S/c1-12(2)24(21,22)18(16(20)23-17(4,5)6)11-13(3)14-7-9-15(19)10-8-14/h7-10,12-13,19H,11H2,1-6H3
InChIKeyCCCVPWSFZMXPSS-UHFFFAOYSA-N
XLogP3.47
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate
CID 59893070
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid
CID 156681988
tert-butyl N-methyl-N-[(2S)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl]carbamate
CID 67452101
tert-butyl N-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-N-propan-2-ylcarbamate
CID 54372955
2-(4-hydroxyphenyl)propane-1-sulfonic acid
CID 115029578
4-[1-(diethylamino)propan-2-yl]phenol
CID 115025478
tert-butyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170833086
tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate
CID 87378206
ditert-butyl 2-[amino-(4-hydroxyphenyl)methyl]propanedioate
CID 174570665
tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate
CID 68626406
tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
CID 151301292

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate?
The IUPAC name of tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate (CID 57022425) is tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate?
The canonical SMILES for tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate is CC(CN(C(=O)OC(C)(C)C)S(=O)(=O)C(C)C)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate?
The InChIKey is CCCVPWSFZMXPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5S/c1-12(2)24(21,22)18(16(20)23-17(4,5)6)11-13(3)14-7-9-15(19)10-8-14/h7-10,12-13,19H,11H2,1-6H3.
What are the key properties of tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate?
tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate has a molecular weight of 357.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-hydroxyphenyl)propyl]-N-propan-2-ylsulfonylcarbamate is sourced from PubChem (CID 57022425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).