N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide

C14H20N2OS — CID 81452923

IUPACN-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NCC(N)c2ccccc2)CCCS1
InChIInChI=1S/C14H20N2OS/c1-14(8-5-9-18-14)13(17)16-10-12(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,15H2,1H3,(H,16,17)
InChIKeyWAWLZGXHQHVSKD-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.09
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide

N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide (PubChem CID 81452923) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide
PubChem CID81452923
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NCC(N)c2ccccc2)CCCS1
InChIInChI=1S/C14H20N2OS/c1-14(8-5-9-18-14)13(17)16-10-12(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,15H2,1H3,(H,16,17)
InChIKeyWAWLZGXHQHVSKD-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide (CID 81452923) is N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide is CC1(C(=O)NCC(N)c2ccccc2)CCCS1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide?
The InChIKey is WAWLZGXHQHVSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(8-5-9-18-14)13(17)16-10-12(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide?
N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 81452923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).