N-methyl-3-(2-methylsulfanylethylamino)propanamide

C7H16N2OS — CID 63967095

IUPACN-methyl-3-(2-methylsulfanylethylamino)propanamide
SMILESCNC(=O)CCNCCSC
InChIInChI=1S/C7H16N2OS/c1-8-7(10)3-4-9-5-6-11-2/h9H,3-6H2,1-2H3,(H,8,10)
InChIKeyULUPOJDWBFFHKT-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.08
Rot. Bonds6

About N-methyl-3-(2-methylsulfanylethylamino)propanamide

N-methyl-3-(2-methylsulfanylethylamino)propanamide (PubChem CID 63967095) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is N-methyl-3-(2-methylsulfanylethylamino)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylsulfanylethylamino)propanamide
PubChem CID63967095
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameN-methyl-3-(2-methylsulfanylethylamino)propanamide
SMILESCNC(=O)CCNCCSC
InChIInChI=1S/C7H16N2OS/c1-8-7(10)3-4-9-5-6-11-2/h9H,3-6H2,1-2H3,(H,8,10)
InChIKeyULUPOJDWBFFHKT-UHFFFAOYSA-N
XLogP0.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-3-methylsulfanylpropanamide
CID 143646682
N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
CID 62352584
3-(2-fluoroethylamino)-N-methylpropanamide
CID 80695832
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105683
2-[[[3-(methylamino)-3-oxopropyl]amino]methyl]prop-2-enoic acid
CID 103245953
3-[3-(dimethylamino)propylamino]-N-methylpropanamide
CID 62325498
N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide
CID 63965989
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
3-(6-methoxyhexylamino)-N-methylpropanamide
CID 143379158
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 79623755

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylsulfanylethylamino)propanamide?
The IUPAC name of N-methyl-3-(2-methylsulfanylethylamino)propanamide (CID 63967095) is N-methyl-3-(2-methylsulfanylethylamino)propanamide.
What is the SMILES notation for N-methyl-3-(2-methylsulfanylethylamino)propanamide?
The canonical SMILES for N-methyl-3-(2-methylsulfanylethylamino)propanamide is CNC(=O)CCNCCSC.
What is the InChIKey of N-methyl-3-(2-methylsulfanylethylamino)propanamide?
The InChIKey is ULUPOJDWBFFHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-8-7(10)3-4-9-5-6-11-2/h9H,3-6H2,1-2H3,(H,8,10).
What are the key properties of N-methyl-3-(2-methylsulfanylethylamino)propanamide?
N-methyl-3-(2-methylsulfanylethylamino)propanamide has a molecular weight of 176.28 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylsulfanylethylamino)propanamide is sourced from PubChem (CID 63967095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).