(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide

C8H17NOS — CID 58559531

IUPAC(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide
SMILESC[C@H](COC(C)(C)C)C(N)=S
InChIInChI=1S/C8H17NOS/c1-6(7(9)11)5-10-8(2,3)4/h6H,5H2,1-4H3,(H2,9,11)/t6-/m1/s1
InChIKeyQQRROAAQQYCUIT-ZCFIWIBFSA-N
MW175.30 g/mol
LogP1.72
Rot. Bonds3

About (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide

(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide (PubChem CID 58559531) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide.

Molecular Properties

Compound Name(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide
PubChem CID58559531
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide
SMILESC[C@H](COC(C)(C)C)C(N)=S
InChIInChI=1S/C8H17NOS/c1-6(7(9)11)5-10-8(2,3)4/h6H,5H2,1-4H3,(H2,9,11)/t6-/m1/s1
InChIKeyQQRROAAQQYCUIT-ZCFIWIBFSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide?
The IUPAC name of (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide (CID 58559531) is (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide.
What is the SMILES notation for (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide?
The canonical SMILES for (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide is C[C@H](COC(C)(C)C)C(N)=S.
What is the InChIKey of (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide?
The InChIKey is QQRROAAQQYCUIT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H17NOS/c1-6(7(9)11)5-10-8(2,3)4/h6H,5H2,1-4H3,(H2,9,11)/t6-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide?
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide has a molecular weight of 175.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanethioamide is sourced from PubChem (CID 58559531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).