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

C16H25NO4S — CID 10592327

IUPACtert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate
SMILESCCC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO4S/c1-5-9-13(17-15(18)21-16(2,3)4)12-22(19,20)14-10-7-6-8-11-14/h6-8,10-11,13H,5,9,12H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyPLHOHJUJDZRKLD-CYBMUJFWSA-N
MW327.45 g/mol
LogP3.15
Rot. Bonds6

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

tert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate (PubChem CID 10592327) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate
PubChem CID10592327
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Nametert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate
SMILESCCC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO4S/c1-5-9-13(17-15(18)21-16(2,3)4)12-22(19,20)14-10-7-6-8-11-14/h6-8,10-11,13H,5,9,12H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyPLHOHJUJDZRKLD-CYBMUJFWSA-N
XLogP3.15
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate
CID 11758798
tert-butyl N-[(1S,2S)-3-(benzenesulfonyl)-2-hydroxy-1-phenylpropyl]carbamate
CID 11069210
ethyl (4R)-5-(4-methylphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 126640109
tert-butyl N-[(2R)-1-(benzenesulfonyl)-3-[(2S)-oxan-2-yl]oxypropan-2-yl]carbamate
CID 7157076
3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 17039381
tert-butyl N-[1,1-bis(benzenesulfonyl)-1-fluorononan-2-yl]carbamate
CID 25030466
tert-butyl N-(1-chlorosulfonyl-3-phenylpropan-2-yl)carbamate
CID 85362370
tert-butyl N-(1-hydroxy-1-phenyloctan-3-yl)carbamate
CID 101411554
methyl (3S)-2-(benzenesulfonyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate
CID 135064321
tert-butyl N-(1-iodopentan-2-yl)carbamate
CID 130004386
tert-butyl N-[4,4-bis(benzenesulfonyl)-4-fluoro-1-phenylbutan-2-yl]carbamate
CID 175456557
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 144940972

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate (CID 10592327) is tert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate is CCC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate?
The InChIKey is PLHOHJUJDZRKLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-5-9-13(17-15(18)21-16(2,3)4)12-22(19,20)14-10-7-6-8-11-14/h6-8,10-11,13H,5,9,12H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(benzenesulfonyl)pentan-2-yl]carbamate has a molecular weight of 327.45 g/mol, XLogP of 3.15, 6 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)pentan-2-yl]carbamate is sourced from PubChem (CID 10592327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).