tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate

C15H23NO4S — CID 11758798

IUPACtert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate
SMILESCC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO4S/c1-5-12(16-14(17)20-15(2,3)4)11-21(18,19)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyZOQWRQAXCMKIIC-GFCCVEGCSA-N
MW313.42 g/mol
LogP2.76
Rot. Bonds5

About tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate

tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate (PubChem CID 11758798) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate
PubChem CID11758798
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Nametert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate
SMILESCC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO4S/c1-5-12(16-14(17)20-15(2,3)4)11-21(18,19)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyZOQWRQAXCMKIIC-GFCCVEGCSA-N
XLogP2.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate
CID 10592327
tert-butyl N-[(1S,2S)-3-(benzenesulfonyl)-2-hydroxy-1-phenylpropyl]carbamate
CID 11069210
tert-butyl N-[(2R)-1-(benzenesulfonyl)-3-[(2S)-oxan-2-yl]oxypropan-2-yl]carbamate
CID 7157076
3-[1-(benzenesulfonyl)butan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 122066462
ethyl (4R)-5-(4-methylphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 126640109
tert-butyl N-(1-chlorosulfonyl-3-phenylpropan-2-yl)carbamate
CID 85362370
tert-butyl N-[1-(2-phenylethylamino)butan-2-yl]carbamate
CID 107250176
tert-butyl N-[(2S)-3-methyl-1-[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]-1-oxopentan-2-yl]carbamate
CID 134920551
2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl 4-methylbenzenesulfonate
CID 23245179
tert-butyl N-[(2S)-1-[1-(benzenesulfonyl)propylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101387955
tert-butyl N-[4,4-bis(benzenesulfonyl)-4-fluoro-1-phenylbutan-2-yl]carbamate
CID 175456557
tert-butyl N-[1,1-bis(benzenesulfonyl)-1-fluorononan-2-yl]carbamate
CID 25030466

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate (CID 11758798) is tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate is CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate?
The InChIKey is ZOQWRQAXCMKIIC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-12(16-14(17)20-15(2,3)4)11-21(18,19)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate has a molecular weight of 313.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate is sourced from PubChem (CID 11758798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).