3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide

C11H24N2O2S — CID 63855423

IUPAC3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCOCCCSCC(C)(NC(C)C)C(N)=O
InChIInChI=1S/C11H24N2O2S/c1-9(2)13-11(3,10(12)14)8-16-7-5-6-15-4/h9,13H,5-8H2,1-4H3,(H2,12,14)
InChIKeyCLHMJWGZNPOVNQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.00
Rot. Bonds9

About 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide

3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide (PubChem CID 63855423) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide
PubChem CID63855423
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCOCCCSCC(C)(NC(C)C)C(N)=O
InChIInChI=1S/C11H24N2O2S/c1-9(2)13-11(3,10(12)14)8-16-7-5-6-15-4/h9,13H,5-8H2,1-4H3,(H2,12,14)
InChIKeyCLHMJWGZNPOVNQ-UHFFFAOYSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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)propanamide
CID 63856340
2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide
CID 114234454
ethyl 2-methyl-3-pentylsulfanyl-2-(propan-2-ylamino)propanoate
CID 107755603
ethyl 3-(3-hydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 66127261
2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide
CID 107755381
3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanoic acid
CID 63855971
2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 63918417
4-methoxy-2,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 60788184
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807379
2-ethyl-5-(3-methoxypropylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 106807566
4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710876
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106666736

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide (CID 63855423) is 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide is COCCCSCC(C)(NC(C)C)C(N)=O.
What is the InChIKey of 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide?
The InChIKey is CLHMJWGZNPOVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)13-11(3,10(12)14)8-16-7-5-6-15-4/h9,13H,5-8H2,1-4H3,(H2,12,14).
What are the key properties of 3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide?
3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide has a molecular weight of 248.39 g/mol, XLogP of 1.00, 9 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-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63855423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).