tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate

C15H22N2O3S — CID 135192025

IUPACtert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate
SMILESC[C@H](CSc1ccccc1NC=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O3S/c1-11(17-14(19)20-15(2,3)4)9-21-13-8-6-5-7-12(13)16-10-18/h5-8,10-11H,9H2,1-4H3,(H,16,18)(H,17,19)/t11-/m1/s1
InChIKeyNGMBKEDCAXGISF-LLVKDONJSA-N
MW310.42 g/mol
LogP3.26
Rot. Bonds6

About tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate

tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate (PubChem CID 135192025) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate
PubChem CID135192025
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nametert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate
SMILESC[C@H](CSc1ccccc1NC=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O3S/c1-11(17-14(19)20-15(2,3)4)9-21-13-8-6-5-7-12(13)16-10-18/h5-8,10-11H,9H2,1-4H3,(H,16,18)(H,17,19)/t11-/m1/s1
InChIKeyNGMBKEDCAXGISF-LLVKDONJSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate (CID 135192025) is tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate is C[C@H](CSc1ccccc1NC=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate?
The InChIKey is NGMBKEDCAXGISF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(17-14(19)20-15(2,3)4)9-21-13-8-6-5-7-12(13)16-10-18/h5-8,10-11H,9H2,1-4H3,(H,16,18)(H,17,19)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate has a molecular weight of 310.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate is sourced from PubChem (CID 135192025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).