2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide

C6H11NOS — CID 65498550

IUPAC2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(CO)CC1
InChIInChI=1S/C6H11NOS/c7-5(9)3-6(4-8)1-2-6/h8H,1-4H2,(H2,7,9)
InChIKeyWHNJILWVYBLUAT-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.44
Rot. Bonds3

About 2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide

2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide (PubChem CID 65498550) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide
PubChem CID65498550
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(CO)CC1
InChIInChI=1S/C6H11NOS/c7-5(9)3-6(4-8)1-2-6/h8H,1-4H2,(H2,7,9)
InChIKeyWHNJILWVYBLUAT-UHFFFAOYSA-N
XLogP0.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
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 2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide (CID 65498550) is 2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide is NC(=S)CC1(CO)CC1.
What is the InChIKey of 2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide?
The InChIKey is WHNJILWVYBLUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c7-5(9)3-6(4-8)1-2-6/h8H,1-4H2,(H2,7,9).
What are the key properties of 2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide?
2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide has a molecular weight of 145.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide is sourced from PubChem (CID 65498550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).