tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate

C18H27NO4S — CID 11792387

IUPACtert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H27NO4S/c1-18(2,3)23-17(20)19-16(14-10-6-4-7-11-14)24(21,22)15-12-8-5-9-13-15/h5,8-9,12-14,16H,4,6-7,10-11H2,1-3H3,(H,19,20)
InChIKeyCHWYBOVSGSJNFE-UHFFFAOYSA-N
MW353.48 g/mol
LogP3.89
Rot. Bonds4

About tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate

tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate (PubChem CID 11792387) has the molecular formula C18H27NO4S and a molecular weight of 353.48 g/mol. Its IUPAC name is tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate
PubChem CID11792387
Molecular FormulaC18H27NO4S
Molecular Weight353.48 g/mol
Exact Mass353.17
IUPAC Nametert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H27NO4S/c1-18(2,3)23-17(20)19-16(14-10-6-4-7-11-14)24(21,22)15-12-8-5-9-13-15/h5,8-9,12-14,16H,4,6-7,10-11H2,1-3H3,(H,19,20)
InChIKeyCHWYBOVSGSJNFE-UHFFFAOYSA-N
XLogP3.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester
CID 9997832
tert-butyl N-[(E,2S)-4-(benzenesulfonyl)-4-fluoro-1-phenyl-3-(2-phenylethylsulfanyl)but-3-en-2-yl]carbamate
CID 44444727
tert-butyl N-[(Z,2S)-4-(benzenesulfonyl)-4-fluoro-1-phenyl-3-(2-phenylethylsulfanyl)but-3-en-2-yl]carbamate
CID 44444728
tert-butyl N-[benzenesulfonyl-(4-fluorophenyl)methyl]carbamate
CID 11152767
tert-butyl N-[benzenesulfonyl-(2-fluorophenyl)methyl]carbamate
CID 102481543
N-[alpha-(Phenylsulfonyl)-4-(trifluoromethyl)benzyl]carbamic acid tert-butyl ester
CID 45103093
tert-butyl N-[(2S)-1,1-bis(benzenesulfonyl)-1-fluorononan-2-yl]carbamate
CID 102082026
tert-butyl N-[(2S)-1,1-bis(benzenesulfonyl)-1-fluoro-3-methylbutan-2-yl]carbamate
CID 102082029
tert-butyl N-[1-(benzenesulfonyl)-2-(2,4,5-trifluorophenyl)ethyl]carbamate
CID 134959363
Tert-butyl (5,5-difluoro-5-(phenylsulfonyl)pentyl)carbamate
CID 163297722
tert-butyl N-[benzenesulfonyl-(3-fluorophenyl)methyl]carbamate
CID 164687204
tert-butyl N-[5-(benzenesulfonyl)-4-oxopentyl]carbamate
CID 10664945

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate (CID 11792387) is tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate is CC(C)(C)OC(=O)NC(C1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate?
The InChIKey is CHWYBOVSGSJNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4S/c1-18(2,3)23-17(20)19-16(14-10-6-4-7-11-14)24(21,22)15-12-8-5-9-13-15/h5,8-9,12-14,16H,4,6-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate?
tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate has a molecular weight of 353.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate is sourced from PubChem (CID 11792387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).