2-amino-2-phenyl-N-(thiolan-3-yl)acetamide

C12H16N2OS — CID 103797147

IUPAC2-amino-2-phenyl-N-(thiolan-3-yl)acetamide
SMILESNC(C(=O)NC1CCSC1)c1ccccc1
InChIInChI=1S/C12H16N2OS/c13-11(9-4-2-1-3-5-9)12(15)14-10-6-7-16-8-10/h1-5,10-11H,6-8,13H2,(H,14,15)
InChIKeyIFDCODITGDVDNJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.31
Rot. Bonds3

About 2-amino-2-phenyl-N-(thiolan-3-yl)acetamide

2-amino-2-phenyl-N-(thiolan-3-yl)acetamide (PubChem CID 103797147) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-(thiolan-3-yl)acetamide
PubChem CID103797147
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-amino-2-phenyl-N-(thiolan-3-yl)acetamide
SMILESNC(C(=O)NC1CCSC1)c1ccccc1
InChIInChI=1S/C12H16N2OS/c13-11(9-4-2-1-3-5-9)12(15)14-10-6-7-16-8-10/h1-5,10-11H,6-8,13H2,(H,14,15)
InChIKeyIFDCODITGDVDNJ-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-amino-N-(4-aminocyclohexyl)-2-phenylacetamide
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2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053
(2R)-2-amino-N-(oxolan-3-yl)-2-phenylacetamide
CID 80713127
1-phenyl-3-(thiolan-3-yl)urea
CID 2805565
2-amino-N-(3-hydroxycyclohexyl)-2-phenylacetamide
CID 43696117
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
CID 104897215
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
3-amino-4-oxo-4-(thiolan-3-ylamino)butanoic acid
CID 103063031
(2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide
CID 104984848
(2R)-2-amino-N-(3-methylsulfanylcyclopentyl)-2-phenylacetamide
CID 103797785
2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid
CID 62697536

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-amino-2-phenyl-N-(thiolan-3-yl)acetamide (CID 103797147) is 2-amino-2-phenyl-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-amino-2-phenyl-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-amino-2-phenyl-N-(thiolan-3-yl)acetamide is NC(C(=O)NC1CCSC1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-(thiolan-3-yl)acetamide?
The InChIKey is IFDCODITGDVDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c13-11(9-4-2-1-3-5-9)12(15)14-10-6-7-16-8-10/h1-5,10-11H,6-8,13H2,(H,14,15).
What are the key properties of 2-amino-2-phenyl-N-(thiolan-3-yl)acetamide?
2-amino-2-phenyl-N-(thiolan-3-yl)acetamide has a molecular weight of 236.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 103797147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).