tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate

C19H29NO5S — CID 134958904

IUPACtert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@@H](CO)CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO5S/c1-19(2,3)25-18(22)20-11-9-15(10-12-20)16(13-21)14-26(23,24)17-7-5-4-6-8-17/h4-8,15-16,21H,9-14H2,1-3H3/t16-/m0/s1
InChIKeyOGHFKUVNTPERFF-INIZCTEOSA-N
MW383.51 g/mol
LogP2.72
Rot. Bonds5

About tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate

tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate (PubChem CID 134958904) has the molecular formula C19H29NO5S and a molecular weight of 383.51 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate
PubChem CID134958904
Molecular FormulaC19H29NO5S
Molecular Weight383.51 g/mol
Exact Mass383.18
IUPAC Nametert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@@H](CO)CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO5S/c1-19(2,3)25-18(22)20-11-9-15(10-12-20)16(13-21)14-26(23,24)17-7-5-4-6-8-17/h4-8,15-16,21H,9-14H2,1-3H3/t16-/m0/s1
InChIKeyOGHFKUVNTPERFF-INIZCTEOSA-N
XLogP2.72
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate (CID 134958904) is tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([C@@H](CO)CS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate?
The InChIKey is OGHFKUVNTPERFF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29NO5S/c1-19(2,3)25-18(22)20-11-9-15(10-12-20)16(13-21)14-26(23,24)17-7-5-4-6-8-17/h4-8,15-16,21H,9-14H2,1-3H3/t16-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate has a molecular weight of 383.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-1-(benzenesulfonyl)-3-hydroxypropan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 134958904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).