2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide

C12H18N2OS — CID 63960595

IUPAC2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
SMILESCSCCCNC(=O)C(N)c1ccccc1
InChIInChI=1S/C12H18N2OS/c1-16-9-5-8-14-12(15)11(13)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,13H2,1H3,(H,14,15)
InChIKeyKBRKHZYDVLGFNM-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.56
Rot. Bonds6

About 2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide

2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide (PubChem CID 63960595) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
PubChem CID63960595
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
SMILESCSCCCNC(=O)C(N)c1ccccc1
InChIInChI=1S/C12H18N2OS/c1-16-9-5-8-14-12(15)11(13)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,13H2,1H3,(H,14,15)
InChIKeyKBRKHZYDVLGFNM-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.56
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

(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide
CID 114127295
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957
2-amino-2-(4-methylphenyl)-N-(5-methylsulfanylpentyl)acetamide
CID 106312958
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide
CID 114171939
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672
2-amino-N-(3-formamidopropyl)-2-phenylacetamide
CID 110463054
2-amino-N-ethyl-2-phenylacetamide
CID 22262703

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide?
The IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide (CID 63960595) is 2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide is CSCCCNC(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide?
The InChIKey is KBRKHZYDVLGFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-16-9-5-8-14-12(15)11(13)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide?
2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide has a molecular weight of 238.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide is sourced from PubChem (CID 63960595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).