ethane;N-(3-methoxypropyl)ethanethioamide

C8H19NOS — CID 143314010

IUPACethane;N-(3-methoxypropyl)ethanethioamide
SMILESCC.COCCCNC(C)=S
InChIInChI=1S/C6H13NOS.C2H6/c1-6(9)7-4-3-5-8-2;1-2/h3-5H2,1-2H3,(H,7,9);1-2H3
InChIKeyPGULVWXZKKCHEL-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.99
Rot. Bonds4

About ethane;N-(3-methoxypropyl)ethanethioamide

ethane;N-(3-methoxypropyl)ethanethioamide (PubChem CID 143314010) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is ethane;N-(3-methoxypropyl)ethanethioamide.

Molecular Properties

Compound Nameethane;N-(3-methoxypropyl)ethanethioamide
PubChem CID143314010
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameethane;N-(3-methoxypropyl)ethanethioamide
SMILESCC.COCCCNC(C)=S
InChIInChI=1S/C6H13NOS.C2H6/c1-6(9)7-4-3-5-8-2;1-2/h3-5H2,1-2H3,(H,7,9);1-2H3
InChIKeyPGULVWXZKKCHEL-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methoxypropyl)ethanethioamide?
The IUPAC name of ethane;N-(3-methoxypropyl)ethanethioamide (CID 143314010) is ethane;N-(3-methoxypropyl)ethanethioamide.
What is the SMILES notation for ethane;N-(3-methoxypropyl)ethanethioamide?
The canonical SMILES for ethane;N-(3-methoxypropyl)ethanethioamide is CC.COCCCNC(C)=S.
What is the InChIKey of ethane;N-(3-methoxypropyl)ethanethioamide?
The InChIKey is PGULVWXZKKCHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.C2H6/c1-6(9)7-4-3-5-8-2;1-2/h3-5H2,1-2H3,(H,7,9);1-2H3.
What are the key properties of ethane;N-(3-methoxypropyl)ethanethioamide?
ethane;N-(3-methoxypropyl)ethanethioamide has a molecular weight of 177.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methoxypropyl)ethanethioamide is sourced from PubChem (CID 143314010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).