2-(2-cyclopropylethoxy)propanethioamide

C8H15NOS — CID 106201781

IUPAC2-(2-cyclopropylethoxy)propanethioamide
SMILESCC(OCCC1CC1)C(N)=S
InChIInChI=1S/C8H15NOS/c1-6(8(9)11)10-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H2,9,11)
InChIKeyGXUUGUIXOPLPNV-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.48
Rot. Bonds5

About 2-(2-cyclopropylethoxy)propanethioamide

2-(2-cyclopropylethoxy)propanethioamide (PubChem CID 106201781) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)propanethioamide.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)propanethioamide
PubChem CID106201781
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2-(2-cyclopropylethoxy)propanethioamide
SMILESCC(OCCC1CC1)C(N)=S
InChIInChI=1S/C8H15NOS/c1-6(8(9)11)10-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H2,9,11)
InChIKeyGXUUGUIXOPLPNV-UHFFFAOYSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-cyclobutylethoxy)propanoate
CID 106199364
2-(2-cyclobutylethoxy)butanethioamide
CID 106201819
2-(2-cyclopropylethoxy)-3-methylbutan-1-amine
CID 106205725
2-(2-cyclobutylethoxy)propanehydrazide
CID 106206540
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
3-(2-cyclopropylethoxy)-2-methylpropan-1-amine
CID 106203362
(2S)-1-(2-cyclopropylethoxy)propan-2-ol
CID 106203926
2-(2-cyclopropylethoxy)propyl propanoate
CID 145115500
4-(2-propan-2-yloxyethyl)cyclohexane-1-thiol
CID 134212815
4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 114157820
1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
CID 18606921
2-propan-2-yloxyethylcycloheptane
CID 123201160

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)propanethioamide?
The IUPAC name of 2-(2-cyclopropylethoxy)propanethioamide (CID 106201781) is 2-(2-cyclopropylethoxy)propanethioamide.
What is the SMILES notation for 2-(2-cyclopropylethoxy)propanethioamide?
The canonical SMILES for 2-(2-cyclopropylethoxy)propanethioamide is CC(OCCC1CC1)C(N)=S.
What is the InChIKey of 2-(2-cyclopropylethoxy)propanethioamide?
The InChIKey is GXUUGUIXOPLPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-6(8(9)11)10-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H2,9,11).
What are the key properties of 2-(2-cyclopropylethoxy)propanethioamide?
2-(2-cyclopropylethoxy)propanethioamide has a molecular weight of 173.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)propanethioamide is sourced from PubChem (CID 106201781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).