2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide

C8H17NO2S — CID 115659660

IUPAC2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide
SMILESCCCNC(=O)CSC(C)CO
InChIInChI=1S/C8H17NO2S/c1-3-4-9-8(11)6-12-7(2)5-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyVWBYSZXWBWEZNO-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.63
Rot. Bonds6

About 2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide

2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide (PubChem CID 115659660) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide
PubChem CID115659660
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide
SMILESCCCNC(=O)CSC(C)CO
InChIInChI=1S/C8H17NO2S/c1-3-4-9-8(11)6-12-7(2)5-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyVWBYSZXWBWEZNO-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide?
The IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide (CID 115659660) is 2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide?
The canonical SMILES for 2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide is CCCNC(=O)CSC(C)CO.
What is the InChIKey of 2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide?
The InChIKey is VWBYSZXWBWEZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-4-9-8(11)6-12-7(2)5-10/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide?
2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide has a molecular weight of 191.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide is sourced from PubChem (CID 115659660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).