N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide

C9H20N2OS — CID 20608378

IUPACN-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCCN(C)C
InChIInChI=1S/C9H20N2OS/c1-11(2)7-4-6-10-9(12)5-8-13-3/h4-8H2,1-3H3,(H,10,12)
InChIKeyFEHVLERHNVZNDU-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.81
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide

N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide (PubChem CID 20608378) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide
PubChem CID20608378
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCCN(C)C
InChIInChI=1S/C9H20N2OS/c1-11(2)7-4-6-10-9(12)5-8-13-3/h4-8H2,1-3H3,(H,10,12)
InChIKeyFEHVLERHNVZNDU-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.81
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 N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide (CID 20608378) is N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide?
The InChIKey is FEHVLERHNVZNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-11(2)7-4-6-10-9(12)5-8-13-3/h4-8H2,1-3H3,(H,10,12).
What are the key properties of N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide?
N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide has a molecular weight of 204.34 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 20608378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).