2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide

C8H18N2OS — CID 79202458

IUPAC2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide
SMILESCNCC(C)C(=O)NCCSC
InChIInChI=1S/C8H18N2OS/c1-7(6-9-2)8(11)10-4-5-12-3/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyMQFWXYLYIGGDSB-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.32
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide

2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide (PubChem CID 79202458) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide
PubChem CID79202458
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide
SMILESCNCC(C)C(=O)NCCSC
InChIInChI=1S/C8H18N2OS/c1-7(6-9-2)8(11)10-4-5-12-3/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyMQFWXYLYIGGDSB-UHFFFAOYSA-N
XLogP0.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.32
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

2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 106427911
2-methyl-3-(2-methylsulfanylethylcarbamoylamino)propanoic acid
CID 63957265
N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide
CID 119775757
(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 63958849
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
3-amino-N-(2-methylsulfanylethyl)butanamide
CID 63957777
2-methyl-3-(methylamino)-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride
CID 119758899
methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate
CID 119686226
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
CID 79201801
N-(5-methoxypentyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide (CID 79202458) is 2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide is CNCC(C)C(=O)NCCSC.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide?
The InChIKey is MQFWXYLYIGGDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-7(6-9-2)8(11)10-4-5-12-3/h7,9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide?
2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide has a molecular weight of 190.31 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)propanamide is sourced from PubChem (CID 79202458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).