tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate

C13H19NO4S — CID 159326280

IUPACtert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate
SMILESCc1ccc(CS(=O)(=O)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H19NO4S/c1-10-5-7-11(8-6-10)9-19(16,17)14-12(15)18-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyLEKCZAGEZAMITD-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate

tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate (PubChem CID 159326280) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate
PubChem CID159326280
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Nametert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate
SMILESCc1ccc(CS(=O)(=O)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H19NO4S/c1-10-5-7-11(8-6-10)9-19(16,17)14-12(15)18-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyLEKCZAGEZAMITD-UHFFFAOYSA-N
XLogP2.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-1-[methyl-[(4-methylphenyl)methylsulfonyl]amino]propan-2-yl]carbamate
CID 110315342
tert-butyl N-[(2S,3R)-3-methyl-1-[(4-nitrophenyl)methylsulfonylamino]-1-oxopentan-2-yl]carbamate
CID 99793865
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
tert-butyl N-[[1-amino-2-(4-methylphenyl)ethylidene]amino]carbamate
CID 57366789
tert-butyl N-[[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]acetyl]amino]carbamate
CID 58181285
tert-butyl N-[2-(4-methylphenyl)sulfonylethyl]carbamate
CID 67213765
N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide
CID 110664052
tert-butyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 71634480
tert-butyl N-[(3R)-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 97176433
N-[(4-methylphenyl)methylsulfonyl]-2-phenylbutanamide
CID 130327231
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide
CID 130327235

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate?
The IUPAC name of tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate (CID 159326280) is tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate is Cc1ccc(CS(=O)(=O)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate?
The InChIKey is LEKCZAGEZAMITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-5-7-11(8-6-10)9-19(16,17)14-12(15)18-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate?
tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate has a molecular weight of 285.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate is sourced from PubChem (CID 159326280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).