tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate

C13H21N3O5S — CID 58981687

IUPACtert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CNS(=O)(=O)c1ccccn1
InChIInChI=1S/C13H21N3O5S/c1-13(2,3)21-12(18)15-8-10(17)9-16-22(19,20)11-6-4-5-7-14-11/h4-7,10,16-17H,8-9H2,1-3H3,(H,15,18)
InChIKeyGWNZQGCHLOLOMZ-UHFFFAOYSA-N
MW331.39 g/mol
LogP0.25
Rot. Bonds6

About tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate

tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate (PubChem CID 58981687) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate
PubChem CID58981687
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Nametert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CNS(=O)(=O)c1ccccn1
InChIInChI=1S/C13H21N3O5S/c1-13(2,3)21-12(18)15-8-10(17)9-16-22(19,20)11-6-4-5-7-14-11/h4-7,10,16-17H,8-9H2,1-3H3,(H,15,18)
InChIKeyGWNZQGCHLOLOMZ-UHFFFAOYSA-N
XLogP0.25
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate
CID 58981690
N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide
CID 86048885
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476
N-(2,2-diphenylethyl)pyridine-2-sulfonamide
CID 135085971
tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate
CID 177242065
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743
4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium
CID 159133812
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
4-(pyridin-2-ylsulfonylamino)butanoic acid
CID 122067598

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate (CID 58981687) is tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate is CC(C)(C)OC(=O)NCC(O)CNS(=O)(=O)c1ccccn1.
What is the InChIKey of tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate?
The InChIKey is GWNZQGCHLOLOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-13(2,3)21-12(18)15-8-10(17)9-16-22(19,20)11-6-4-5-7-14-11/h4-7,10,16-17H,8-9H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate?
tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate has a molecular weight of 331.39 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate is sourced from PubChem (CID 58981687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).