N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide

C17H23NO2S — CID 97250439

IUPACN-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide
SMILESC[C@@H]1OCC[C@H]1NC(=O)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C17H23NO2S/c1-13-15(9-12-20-13)18-16(19)17(10-5-6-11-17)21-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyRYSIOUXTBIQNHJ-DZGCQCFKSA-N
MW305.44 g/mol
LogP3.39
Rot. Bonds4

About N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide

N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide (PubChem CID 97250439) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide
PubChem CID97250439
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide
SMILESC[C@@H]1OCC[C@H]1NC(=O)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C17H23NO2S/c1-13-15(9-12-20-13)18-16(19)17(10-5-6-11-17)21-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyRYSIOUXTBIQNHJ-DZGCQCFKSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide (CID 97250439) is N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide is C[C@@H]1OCC[C@H]1NC(=O)C1(Sc2ccccc2)CCCC1.
What is the InChIKey of N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide?
The InChIKey is RYSIOUXTBIQNHJ-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-13-15(9-12-20-13)18-16(19)17(10-5-6-11-17)21-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,19)/t13-,15+/m0/s1.
What are the key properties of N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide?
N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 97250439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).