3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide

C11H24N2O2S — CID 63856340

IUPAC3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(CSCCCOC)C(N)=O
InChIInChI=1S/C11H24N2O2S/c1-4-6-13-11(2,10(12)14)9-16-8-5-7-15-3/h13H,4-9H2,1-3H3,(H2,12,14)
InChIKeyAEQZVXAEFHUMLN-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.00
Rot. Bonds10

About 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide

3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide (PubChem CID 63856340) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide
PubChem CID63856340
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(CSCCCOC)C(N)=O
InChIInChI=1S/C11H24N2O2S/c1-4-6-13-11(2,10(12)14)9-16-8-5-7-15-3/h13H,4-9H2,1-3H3,(H2,12,14)
InChIKeyAEQZVXAEFHUMLN-UHFFFAOYSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanoic acid
CID 63855971
3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide
CID 63855423
methyl 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(propylamino)propanoate
CID 63921066
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanamide
CID 63008631
4-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 64805507
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64806971
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690
3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide
CID 107771709
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666735
ethyl 2-methyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanoate
CID 63658515
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
ethyl 5-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 63856162

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide?
The IUPAC name of 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide (CID 63856340) is 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide.
What is the SMILES notation for 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide?
The canonical SMILES for 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide is CCCNC(C)(CSCCCOC)C(N)=O.
What is the InChIKey of 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide?
The InChIKey is AEQZVXAEFHUMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-6-13-11(2,10(12)14)9-16-8-5-7-15-3/h13H,4-9H2,1-3H3,(H2,12,14).
What are the key properties of 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide?
3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide has a molecular weight of 248.39 g/mol, XLogP of 1.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide is sourced from PubChem (CID 63856340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).