2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide

C11H22N2O2S — CID 120785888

IUPAC2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide
SMILESCSCCCNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-16-8-2-5-13-11(14)10(12)9-3-6-15-7-4-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyNFWBCVNFSQAHKU-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.61
Rot. Bonds6

About 2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide

2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide (PubChem CID 120785888) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide
PubChem CID120785888
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide
SMILESCSCCCNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-16-8-2-5-13-11(14)10(12)9-3-6-15-7-4-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyNFWBCVNFSQAHKU-UHFFFAOYSA-N
XLogP0.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.61
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

2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
CID 120784836
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride
CID 120789495
methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
CID 120791632
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide
CID 120791442
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
2-amino-N-(2-cyclohexyloxyethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789515
2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120794628

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide (CID 120785888) is 2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide is CSCCCNC(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide?
The InChIKey is NFWBCVNFSQAHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-16-8-2-5-13-11(14)10(12)9-3-6-15-7-4-9/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide has a molecular weight of 246.38 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120785888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).