2-[1-(methoxymethyl)cyclopropyl]ethanethioamide

C7H13NOS — CID 65498544

IUPAC2-[1-(methoxymethyl)cyclopropyl]ethanethioamide
SMILESCOCC1(CC(N)=S)CC1
InChIInChI=1S/C7H13NOS/c1-9-5-7(2-3-7)4-6(8)10/h2-5H2,1H3,(H2,8,10)
InChIKeyHZKFUBDUQNDNTC-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.09
Rot. Bonds4

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

2-[1-(methoxymethyl)cyclopropyl]ethanethioamide (PubChem CID 65498544) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-(methoxymethyl)cyclopropyl]ethanethioamide
PubChem CID65498544
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2-[1-(methoxymethyl)cyclopropyl]ethanethioamide
SMILESCOCC1(CC(N)=S)CC1
InChIInChI=1S/C7H13NOS/c1-9-5-7(2-3-7)4-6(8)10/h2-5H2,1H3,(H2,8,10)
InChIKeyHZKFUBDUQNDNTC-UHFFFAOYSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.09
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 2-[1-(methoxymethyl)cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-(methoxymethyl)cyclopropyl]ethanethioamide (CID 65498544) is 2-[1-(methoxymethyl)cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-(methoxymethyl)cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-(methoxymethyl)cyclopropyl]ethanethioamide is COCC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-(methoxymethyl)cyclopropyl]ethanethioamide?
The InChIKey is HZKFUBDUQNDNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-9-5-7(2-3-7)4-6(8)10/h2-5H2,1H3,(H2,8,10).
What are the key properties of 2-[1-(methoxymethyl)cyclopropyl]ethanethioamide?
2-[1-(methoxymethyl)cyclopropyl]ethanethioamide has a molecular weight of 159.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethyl)cyclopropyl]ethanethioamide is sourced from PubChem (CID 65498544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).