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

C8H17NO2S — CID 91666833

IUPACtert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate
SMILESC[C@H](CS)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2S/c1-6(5-12)9-7(10)11-8(2,3)4/h6,12H,5H2,1-4H3,(H,9,10)/t6-/m1/s1
InChIKeyNCVLQTCIRKDURX-ZCFIWIBFSA-N
MW191.30 g/mol
LogP1.83
Rot. Bonds2

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

tert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate (PubChem CID 91666833) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate
PubChem CID91666833
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Nametert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate
SMILESC[C@H](CS)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2S/c1-6(5-12)9-7(10)11-8(2,3)4/h6,12H,5H2,1-4H3,(H,9,10)/t6-/m1/s1
InChIKeyNCVLQTCIRKDURX-ZCFIWIBFSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate (CID 91666833) is tert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate is C[C@H](CS)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate?
The InChIKey is NCVLQTCIRKDURX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6(5-12)9-7(10)11-8(2,3)4/h6,12H,5H2,1-4H3,(H,9,10)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate has a molecular weight of 191.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-sulfanylpropan-2-yl]carbamate is sourced from PubChem (CID 91666833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).