3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide

C9H20N2O2S — CID 106113782

IUPAC3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide
SMILESCOC(CN)C(=O)NCC(C)(C)SC
InChIInChI=1S/C9H20N2O2S/c1-9(2,14-4)6-11-8(12)7(5-10)13-3/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyXRYHAXKHPMRVRA-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.22
Rot. Bonds6

About 3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide

3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide (PubChem CID 106113782) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide
PubChem CID106113782
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide
SMILESCOC(CN)C(=O)NCC(C)(C)SC
InChIInChI=1S/C9H20N2O2S/c1-9(2,14-4)6-11-8(12)7(5-10)13-3/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyXRYHAXKHPMRVRA-UHFFFAOYSA-N
XLogP0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 106428200
(2R)-2-methoxy-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 57751222
N-[3-[[2-(methylsulfanylmethoxy)acetyl]amino]propyl]propanamide
CID 59763045
2-(3-methylbutoxy)-N-(3-methylsulfanylpropyl)propanamide
CID 87666099
2-ethoxy-N-(3-sulfanylpropyl)propanamide
CID 88854261
(2S)-N-ethyl-4-(methylsulfanylmethyl)morpholine-2-carboxamide
CID 137471253
N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide
CID 151012070
3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide
CID 154603763
2-[(2-methylpropan-2-yl)oxy]-N-[3-[2-(1-methylsulfanylethylamino)ethoxy]propyl]acetamide
CID 156046196
N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
CID 166733071
S-methyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamothioate
CID 166800866
N-(3-acetamidopropyl)-2-(1-methylsulfanylethoxy)acetamide
CID 167191394

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide (CID 106113782) is 3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide is COC(CN)C(=O)NCC(C)(C)SC.
What is the InChIKey of 3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide?
The InChIKey is XRYHAXKHPMRVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2,14-4)6-11-8(12)7(5-10)13-3/h7H,5-6,10H2,1-4H3,(H,11,12).
What are the key properties of 3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide?
3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide has a molecular weight of 220.34 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 106113782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).