tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate

C14H23N3O5S — CID 58981690

IUPACtert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CNS(=O)(=O)c1ccccn1
InChIInChI=1S/C14H23N3O5S/c1-10(17-13(19)22-14(2,3)4)11(18)9-16-23(20,21)12-7-5-6-8-15-12/h5-8,10-11,16,18H,9H2,1-4H3,(H,17,19)/t10-,11-/m0/s1
InChIKeyIQEXUDLSOUORDE-QWRGUYRKSA-N
MW345.42 g/mol
LogP0.63
Rot. Bonds6

About tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate

tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate (PubChem CID 58981690) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate
PubChem CID58981690
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC Nametert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CNS(=O)(=O)c1ccccn1
InChIInChI=1S/C14H23N3O5S/c1-10(17-13(19)22-14(2,3)4)11(18)9-16-23(20,21)12-7-5-6-8-15-12/h5-8,10-11,16,18H,9H2,1-4H3,(H,17,19)/t10-,11-/m0/s1
InChIKeyIQEXUDLSOUORDE-QWRGUYRKSA-N
XLogP0.63
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate
CID 58981687
tert-butyl N-[(2S)-3-hydroxy-4-[[2-(3-pyridin-2-ylphenyl)acetyl]amino]butan-2-yl]carbamate
CID 59039001
N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide
CID 86048885
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
CID 96581873
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
N-(2,2-diphenylethyl)pyridine-2-sulfonamide
CID 135085971
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid
CID 124654287
tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate
CID 10891701
tert-butyl N-[3-hydroxy-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 59167048
tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate
CID 129192624

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate (CID 58981690) is tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CNS(=O)(=O)c1ccccn1.
What is the InChIKey of tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate?
The InChIKey is IQEXUDLSOUORDE-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-10(17-13(19)22-14(2,3)4)11(18)9-16-23(20,21)12-7-5-6-8-15-12/h5-8,10-11,16,18H,9H2,1-4H3,(H,17,19)/t10-,11-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate has a molecular weight of 345.42 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate is sourced from PubChem (CID 58981690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).