3-[2-(dimethylamino)ethylsulfanyl]propanamide

C7H16N2OS — CID 55253499

IUPAC3-[2-(dimethylamino)ethylsulfanyl]propanamide
SMILESCN(C)CCSCCC(N)=O
InChIInChI=1S/C7H16N2OS/c1-9(2)4-6-11-5-3-7(8)10/h3-6H2,1-2H3,(H2,8,10)
InChIKeyVVCIPNDGZXDIHW-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.16
Rot. Bonds6

About 3-[2-(dimethylamino)ethylsulfanyl]propanamide

3-[2-(dimethylamino)ethylsulfanyl]propanamide (PubChem CID 55253499) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylsulfanyl]propanamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylsulfanyl]propanamide
PubChem CID55253499
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name3-[2-(dimethylamino)ethylsulfanyl]propanamide
SMILESCN(C)CCSCCC(N)=O
InChIInChI=1S/C7H16N2OS/c1-9(2)4-6-11-5-3-7(8)10/h3-6H2,1-2H3,(H2,8,10)
InChIKeyVVCIPNDGZXDIHW-UHFFFAOYSA-N
XLogP0.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.16
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]propanamide?
The IUPAC name of 3-[2-(dimethylamino)ethylsulfanyl]propanamide (CID 55253499) is 3-[2-(dimethylamino)ethylsulfanyl]propanamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylsulfanyl]propanamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylsulfanyl]propanamide is CN(C)CCSCCC(N)=O.
What is the InChIKey of 3-[2-(dimethylamino)ethylsulfanyl]propanamide?
The InChIKey is VVCIPNDGZXDIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-9(2)4-6-11-5-3-7(8)10/h3-6H2,1-2H3,(H2,8,10).
What are the key properties of 3-[2-(dimethylamino)ethylsulfanyl]propanamide?
3-[2-(dimethylamino)ethylsulfanyl]propanamide has a molecular weight of 176.28 g/mol, XLogP of 0.16, 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]propanamide is sourced from PubChem (CID 55253499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).