tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate

C15H23NO4S — CID 11551395

IUPACtert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23NO4S/c1-11(2)13(16-14(17)20-15(3,4)5)21(18,19)12-9-7-6-8-10-12/h6-11,13H,1-5H3,(H,16,17)
InChIKeyRHUSSAVCEINREK-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.97
Rot. Bonds4

About tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate

tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate (PubChem CID 11551395) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate
PubChem CID11551395
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Nametert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23NO4S/c1-11(2)13(16-14(17)20-15(3,4)5)21(18,19)12-9-7-6-8-10-12/h6-11,13H,1-5H3,(H,16,17)
InChIKeyRHUSSAVCEINREK-UHFFFAOYSA-N
XLogP2.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl [2,2,2-trichloro-1-(phenylsulfonyl)ethyl]carbamate
CID 3774152
Tert-butyl cyclohexyl(phenylsulfonyl)methylcarbamate
CID 11792387
tert-butyl N-((benzenesulfonyl)methyl)carbamate
CID 90227332
tert-butyl (E,3S)-5-(benzenesulfonyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 58206079
tert-butyl N-(2-(imino(oxo)phenyl-lambda6-sulfanyl)ethyl)carbamate
CID 138987821
tert-butyl N-[(benzenesulfonyl)methyl]-N-methylcarbamate
CID 154577122
tert-butyl N-[(2S)-1,1-bis(benzenesulfonyl)-1-fluoro-3-methylbutan-2-yl]carbamate
CID 102082029
Tert-butyl (5,5-difluoro-5-(phenylsulfonyl)pentyl)carbamate
CID 163297722
tert-butyl N-[5-(benzenesulfonyl)-4-oxopentyl]carbamate
CID 10664945
tert-butyl N-[1-(benzenesulfonyl)-3-methylbutyl]carbamate
CID 10758609
tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate
CID 11326090
Tert-butyl (1-tosylpropyl)carbamate
CID 11461150

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate (CID 11551395) is tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate?
The InChIKey is RHUSSAVCEINREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(2)13(16-14(17)20-15(3,4)5)21(18,19)12-9-7-6-8-10-12/h6-11,13H,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate?
tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate has a molecular weight of 313.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate is sourced from PubChem (CID 11551395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).