3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide

C8H18N2OS — CID 88553392

IUPAC3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide
SMILESCNC(=O)CCSCCN(C)C
InChIInChI=1S/C8H18N2OS/c1-9-8(11)4-6-12-7-5-10(2)3/h4-7H2,1-3H3,(H,9,11)
InChIKeyCTVMBNQFUALMSO-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.42
Rot. Bonds6

About 3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide

3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide (PubChem CID 88553392) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide
PubChem CID88553392
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide
SMILESCNC(=O)CCSCCN(C)C
InChIInChI=1S/C8H18N2OS/c1-9-8(11)4-6-12-7-5-10(2)3/h4-7H2,1-3H3,(H,9,11)
InChIKeyCTVMBNQFUALMSO-UHFFFAOYSA-N
XLogP0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide?
The IUPAC name of 3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide (CID 88553392) is 3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide is CNC(=O)CCSCCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide?
The InChIKey is CTVMBNQFUALMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-9-8(11)4-6-12-7-5-10(2)3/h4-7H2,1-3H3,(H,9,11).
What are the key properties of 3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide?
3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide has a molecular weight of 190.31 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide is sourced from PubChem (CID 88553392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).